1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one

C16H30N2O — CID 83991687

IUPAC1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O/c1-11(2)12-8-14(17-13-6-7-13)10-18(9-12)15(19)16(3,4)5/h11-14,17H,6-10H2,1-5H3
InChIKeyFYJGBKPJZOGOSM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds3

About 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83991687) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83991687
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O/c1-11(2)12-8-14(17-13-6-7-13)10-18(9-12)15(19)16(3,4)5/h11-14,17H,6-10H2,1-5H3
InChIKeyFYJGBKPJZOGOSM-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 168727019
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863
N-cyclopropyl-1-(1-cyclopropylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83991856
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83991687) is 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)C1CC(NC2CC2)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FYJGBKPJZOGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(2)12-8-14(17-13-6-7-13)10-18(9-12)15(19)16(3,4)5/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83991687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).