[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C21H30ClN3O — CID 68595067

IUPAC[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC(Nc2cccc(Cl)c2)CC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C21H30ClN3O/c22-18-2-1-3-20(14-18)23-19-8-6-17(7-9-19)21(26)25-12-10-24(11-13-25)15-16-4-5-16/h1-3,14,16-17,19,23H,4-13,15H2
InChIKeyXTRDBDNPIDDVTF-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.86
Rot. Bonds5

About [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 68595067) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID68595067
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC(Nc2cccc(Cl)c2)CC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C21H30ClN3O/c22-18-2-1-3-20(14-18)23-19-8-6-17(7-9-19)21(26)25-12-10-24(11-13-25)15-16-4-5-16/h1-3,14,16-17,19,23H,4-13,15H2
InChIKeyXTRDBDNPIDDVTF-UHFFFAOYSA-N
XLogP3.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(3-chloroanilino)triazolidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 75584345
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 68595891
3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
CID 154865881

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 68595067) is [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is O=C(C1CCC(Nc2cccc(Cl)c2)CC1)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is XTRDBDNPIDDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c22-18-2-1-3-20(14-18)23-19-8-6-17(7-9-19)21(26)25-12-10-24(11-13-25)15-16-4-5-16/h1-3,14,16-17,19,23H,4-13,15H2.
What are the key properties of [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 375.94 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 68595067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).