1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one

C56H113N7O3 — CID 158694385

IUPAC1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(=O)NC1.CC(C)C1CCCC(=O)N1.CC(C)C1CCCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1.CC(C)N1CCCCC1
InChIInChI=1S/3C8H15NO.4C8H17N/c1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h3*6-7H,3-5H2,1-2H3,(H,9,10);2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyIGTDZNKXAWIYQW-UHFFFAOYSA-N
MW932.57 g/mol
LogP10.60
Rot. Bonds7

About 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one

1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one (PubChem CID 158694385) has the molecular formula C56H113N7O3 and a molecular weight of 932.57 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one
PubChem CID158694385
Molecular FormulaC56H113N7O3
Molecular Weight932.57 g/mol
Exact Mass931.89
IUPAC Name1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(=O)NC1.CC(C)C1CCCC(=O)N1.CC(C)C1CCCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1.CC(C)N1CCCCC1
InChIInChI=1S/3C8H15NO.4C8H17N/c1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h3*6-7H,3-5H2,1-2H3,(H,9,10);2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyIGTDZNKXAWIYQW-UHFFFAOYSA-N
XLogP10.60
TPSA126.63 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.57
LogP ≤ 510.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,2R,9S,11S,17S)-11-[3-[(4aS,5R,11aR,11bS)-8-oxo-1,2,3,4,4a,5,6,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-5-yl]propyl]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 155533402
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-isopropyl-4-piperidinyl)ethyl]butanamide
CID 110195849
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(4-ethyl-1-piperazinyl)ethyl]butanamide
CID 110195859
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-piperidinyl)ethyl]butanamide
CID 110195814
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[3-(1-piperidinyl)propyl]butanamide
CID 110195856
4-[(1R,3AS,10AR,10BS)-2-Methyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-(1-methyl-4-piperidinyl)butanamide
CID 110195726
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-ethyl-4-piperidinyl)ethyl]butanamide
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CID 57024859
3,3,5,5,7-Pentakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,4-diazepan-2-one
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N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one (CID 158694385) is 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one is CC(C)C1CCC(=O)NC1.CC(C)C1CCCC(=O)N1.CC(C)C1CCCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC(=O)C1.CC(C)C1CCNCC1.CC(C)N1CCCCC1.
What is the InChIKey of 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one?
The InChIKey is IGTDZNKXAWIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H15NO.4C8H17N/c1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8/h3*6-7H,3-5H2,1-2H3,(H,9,10);2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one?
1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one has a molecular weight of 932.57 g/mol, XLogP of 10.60, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 158694385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).