[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C21H31ClN4O2 — CID 133277623

IUPAC[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(CC3CCCC3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H31ClN4O2/c22-19-13-17(21(27)26-9-11-28-12-10-26)14-23-20(19)24-18-5-7-25(8-6-18)15-16-3-1-2-4-16/h13-14,16,18H,1-12,15H2,(H,23,24)
InChIKeyIAZHQFUVEWLYLI-UHFFFAOYSA-N
MW406.96 g/mol
LogP3.27
Rot. Bonds5

About [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133277623) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133277623
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(CC3CCCC3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H31ClN4O2/c22-19-13-17(21(27)26-9-11-28-12-10-26)14-23-20(19)24-18-5-7-25(8-6-18)15-16-3-1-2-4-16/h13-14,16,18H,1-12,15H2,(H,23,24)
InChIKeyIAZHQFUVEWLYLI-UHFFFAOYSA-N
XLogP3.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273342
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
[5-chloro-6-[[3-(trifluoromethyl)cyclohexyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133333851
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273440
ethyl 3-[5-chloro-6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoate
CID 90728569
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133277623) is [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NC2CCN(CC3CCCC3)CC2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is IAZHQFUVEWLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O2/c22-19-13-17(21(27)26-9-11-28-12-10-26)14-23-20(19)24-18-5-7-25(8-6-18)15-16-3-1-2-4-16/h13-14,16,18H,1-12,15H2,(H,23,24).
What are the key properties of [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 406.96 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133277623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).