1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone

C14H26N2O — CID 107411452

IUPAC1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC(C)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11-3-4-13(9-11)10-15-14-5-7-16(8-6-14)12(2)17/h11,13-15H,3-10H2,1-2H3
InChIKeyDMEHXHQWFFHFGG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds3

About 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 107411452) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
PubChem CID107411452
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC(C)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11-3-4-13(9-11)10-15-14-5-7-16(8-6-14)12(2)17/h11,13-15H,3-10H2,1-2H3
InChIKeyDMEHXHQWFFHFGG-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
N,N-dimethyl-2-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]acetamide
CID 107411593
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 119623917
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
N-[(3-methylcyclopentyl)methyl]azetidin-3-amine
CID 107412080
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-[3-(cyclohex-3-en-1-ylmethylamino)pyrrolidin-1-yl]ethanone
CID 115757149

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone (CID 107411452) is 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2CCC(C)C2)CC1.
What is the InChIKey of 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is DMEHXHQWFFHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-3-4-13(9-11)10-15-14-5-7-16(8-6-14)12(2)17/h11,13-15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 107411452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).