[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C16H22ClN3O — CID 133270710

IUPAC[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCCC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-10-12(16(21)20-8-4-1-5-9-20)11-18-15(14)19-13-6-2-3-7-13/h10-11,13H,1-9H2,(H,18,19)
InChIKeyRYZHTLDIPXHKGL-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.72
Rot. Bonds3

About [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270710) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270710
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCCC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-10-12(16(21)20-8-4-1-5-9-20)11-18-15(14)19-13-6-2-3-7-13/h10-11,13H,1-9H2,(H,18,19)
InChIKeyRYZHTLDIPXHKGL-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496446
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 71888262
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-[[3-(trifluoromethyl)cyclohexyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133333851
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270710) is [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NC2CCCC2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is RYZHTLDIPXHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-10-12(16(21)20-8-4-1-5-9-20)11-18-15(14)19-13-6-2-3-7-13/h10-11,13H,1-9H2,(H,18,19).
What are the key properties of [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 307.82 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).