[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C19H20ClN3O — CID 31564704

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccncc2)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O/c20-16-3-1-15(2-4-16)19(7-8-19)18(24)23-13-11-22(12-14-23)17-5-9-21-10-6-17/h1-6,9-10H,7-8,11-14H2
InChIKeyRUOJWTARNNWKRD-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.12
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 31564704) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID31564704
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccncc2)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O/c20-16-3-1-15(2-4-16)19(7-8-19)18(24)23-13-11-22(12-14-23)17-5-9-21-10-6-17/h1-6,9-10H,7-8,11-14H2
InChIKeyRUOJWTARNNWKRD-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
(2,2-dichloro-1-methylcyclopropyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43020731
1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 72884299
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284166
[1-(4-chlorophenyl)cyclopropyl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 126778055
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55521589

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 31564704) is [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccncc2)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is RUOJWTARNNWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-16-3-1-15(2-4-16)19(7-8-19)18(24)23-13-11-22(12-14-23)17-5-9-21-10-6-17/h1-6,9-10H,7-8,11-14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 341.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 31564704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).