(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H23ClN4O — CID 131917647

IUPAC(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23ClN4O/c21-17-15-16(6-7-18(17)23-9-3-4-10-23)20(26)25-13-11-24(12-14-25)19-5-1-2-8-22-19/h1-2,5-8,15H,3-4,9-14H2
InChIKeyUMZPCHDEGZJPFH-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.30
Rot. Bonds3

About (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 131917647) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID131917647
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23ClN4O/c21-17-15-16(6-7-18(17)23-9-3-4-10-23)20(26)25-13-11-24(12-14-25)19-5-1-2-8-22-19/h1-2,5-8,15H,3-4,9-14H2
InChIKeyUMZPCHDEGZJPFH-UHFFFAOYSA-N
XLogP3.30
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(6aS)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 92726222
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 141181908
N-[2-piperazin-1-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 46333257

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 131917647) is (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UMZPCHDEGZJPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-17-15-16(6-7-18(17)23-9-3-4-10-23)20(26)25-13-11-24(12-14-25)19-5-1-2-8-22-19/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 370.88 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 131917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).