[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone

C21H30ClN3O — CID 68595891

IUPAC[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCc1ccc(NC2CCC(C(=O)N3CCN(C4CC4)CC3)CC2)cc1Cl
InChIInChI=1S/C21H30ClN3O/c1-15-2-5-18(14-20(15)22)23-17-6-3-16(4-7-17)21(26)25-12-10-24(11-13-25)19-8-9-19/h2,5,14,16-17,19,23H,3-4,6-13H2,1H3
InChIKeyUGPVWWJIZGCHCW-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.93
Rot. Bonds4

About [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone

[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 68595891) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID68595891
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCc1ccc(NC2CCC(C(=O)N3CCN(C4CC4)CC3)CC2)cc1Cl
InChIInChI=1S/C21H30ClN3O/c1-15-2-5-18(14-20(15)22)23-17-6-3-16(4-7-17)21(26)25-12-10-24(11-13-25)19-8-9-19/h2,5,14,16-17,19,23H,3-4,6-13H2,1H3
InChIKeyUGPVWWJIZGCHCW-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
tert-butyl 4-(3-chloro-4-methylanilino)azepane-1-carboxylate
CID 103980355
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 67393705

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone (CID 68595891) is [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone is Cc1ccc(NC2CCC(C(=O)N3CCN(C4CC4)CC3)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is UGPVWWJIZGCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-15-2-5-18(14-20(15)22)23-17-6-3-16(4-7-17)21(26)25-12-10-24(11-13-25)19-8-9-19/h2,5,14,16-17,19,23H,3-4,6-13H2,1H3.
What are the key properties of [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone?
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 375.94 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 68595891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).