[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone

C18H26N2O — CID 83999951

IUPAC[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
SMILESCC1CC(NC2CCCC2)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O/c1-14-11-17(19-16-9-5-6-10-16)13-20(12-14)18(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3
InChIKeyDDQIFGKCQZXCBK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.07
Rot. Bonds3

About [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone

[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone (PubChem CID 83999951) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
PubChem CID83999951
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
SMILESCC1CC(NC2CCCC2)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O/c1-14-11-17(19-16-9-5-6-10-16)13-20(12-14)18(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3
InChIKeyDDQIFGKCQZXCBK-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzoyl-5-methylpiperidin-3-yl)acetamide
CID 112541842
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone (CID 83999951) is [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone is CC1CC(NC2CCCC2)CN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone?
The InChIKey is DDQIFGKCQZXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-11-17(19-16-9-5-6-10-16)13-20(12-14)18(21)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3.
What are the key properties of [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone?
[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone has a molecular weight of 286.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 83999951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).