[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C20H29ClN4O — CID 133270898

IUPAC[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H29ClN4O/c21-18-14-16(20(26)25-8-4-1-5-9-25)15-22-19(18)24-12-10-23(11-13-24)17-6-2-3-7-17/h14-15,17H,1-13H2
InChIKeyNZIJXLQQEPNXHC-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.43
Rot. Bonds3

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

[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270898) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270898
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H29ClN4O/c21-18-14-16(20(26)25-8-4-1-5-9-25)15-22-19(18)24-12-10-23(11-13-24)17-6-2-3-7-17/h14-15,17H,1-13H2
InChIKeyNZIJXLQQEPNXHC-UHFFFAOYSA-N
XLogP3.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133322869
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
[5-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133335857
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131908612
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
[5-chloro-6-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587274
5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81448228
4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 68913848

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270898) is [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NZIJXLQQEPNXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c21-18-14-16(20(26)25-8-4-1-5-9-25)15-22-19(18)24-12-10-23(11-13-24)17-6-2-3-7-17/h14-15,17H,1-13H2.
What are the key properties of [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 376.93 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).