2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone

C16H30N2O — CID 114498667

IUPAC2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CCCC2)CC1C
InChIInChI=1S/C16H30N2O/c1-3-9-17-15-8-10-18(12-13(15)2)16(19)11-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyNXQSXQYJHVBXJU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds5

About 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone (PubChem CID 114498667) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
PubChem CID114498667
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CCCC2)CC1C
InChIInChI=1S/C16H30N2O/c1-3-9-17-15-8-10-18(12-13(15)2)16(19)11-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyNXQSXQYJHVBXJU-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114506917
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
CID 95775102
2-cyclohexyl-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethanone
CID 114506671
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 114498455
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone (CID 114498667) is 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone is CCCNC1CCN(C(=O)CC2CCCC2)CC1C.
What is the InChIKey of 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone?
The InChIKey is NXQSXQYJHVBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-9-17-15-8-10-18(12-13(15)2)16(19)11-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 114498667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).