3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C16H31N3O — CID 60577941

IUPAC3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-13-6-4-8-18(10-13)12-15(3)17-16(20)19-9-5-7-14(2)11-19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyMIMGSXDUIIGUSD-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.55
Rot. Bonds3

About 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 60577941) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID60577941
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-13-6-4-8-18(10-13)12-15(3)17-16(20)19-9-5-7-14(2)11-19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyMIMGSXDUIIGUSD-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-ethylpiperidine-1-carboxamide
CID 102555348
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124777715
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 60577941) is 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is CC1CCCN(CC(C)NC(=O)N2CCCC(C)C2)C1.
What is the InChIKey of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is MIMGSXDUIIGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-6-4-8-18(10-13)12-15(3)17-16(20)19-9-5-7-14(2)11-19/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 60577941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).