2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C16H28N2O — CID 47075930

IUPAC2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESC=CCN(CC(=O)N1CCCC(C)C1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-3-10-17(15-8-4-5-9-15)13-16(19)18-11-6-7-14(2)12-18/h3,14-15H,1,4-13H2,2H3
InChIKeyPBXFSDFSBHBMFF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds5

About 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 47075930) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID47075930
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESC=CCN(CC(=O)N1CCCC(C)C1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-3-10-17(15-8-4-5-9-15)13-16(19)18-11-6-7-14(2)12-18/h3,14-15H,1,4-13H2,2H3
InChIKeyPBXFSDFSBHBMFF-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 62027607
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one
CID 95120902
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 62015648
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 47075930) is 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is C=CCN(CC(=O)N1CCCC(C)C1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PBXFSDFSBHBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-10-17(15-8-4-5-9-15)13-16(19)18-11-6-7-14(2)12-18/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 47075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).