[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone

C34H46N4O2 — CID 24891377

IUPAC[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
SMILESCC1CCC(CN2CCN(C(=O)C3CC3C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C34H46N4O2/c1-26-12-14-27(15-13-26)25-35-16-18-37(19-17-35)33(39)30-24-31(30)34(40)38-22-20-36(21-23-38)32(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-11,26-27,30-32H,12-25H2,1H3
InChIKeyANJRGBZZDMTSLM-UHFFFAOYSA-N
MW542.77 g/mol
LogP4.53
Rot. Bonds7

About [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone

[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone (PubChem CID 24891377) has the molecular formula C34H46N4O2 and a molecular weight of 542.77 g/mol. Its IUPAC name is [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
PubChem CID24891377
Molecular FormulaC34H46N4O2
Molecular Weight542.77 g/mol
Exact Mass542.36
IUPAC Name[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
SMILESCC1CCC(CN2CCN(C(=O)C3CC3C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C34H46N4O2/c1-26-12-14-27(15-13-26)25-35-16-18-37(19-17-35)33(39)30-24-31(30)34(40)38-22-20-36(21-23-38)32(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-11,26-27,30-32H,12-25H2,1H3
InChIKeyANJRGBZZDMTSLM-UHFFFAOYSA-N
XLogP4.53
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 24891624
trans-(1S,2S)-2-(4-benzhydrylpiperazine-1-carbonyl)-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 24891472
(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone
CID 24891233
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 111105254
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 55475688
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
(4-benzhydrylpiperazin-1-yl)-[(1S,2R)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexyl]methanone
CID 92510271

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone (CID 24891377) is [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone is CC1CCC(CN2CCN(C(=O)C3CC3C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ANJRGBZZDMTSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4O2/c1-26-12-14-27(15-13-26)25-35-16-18-37(19-17-35)33(39)30-24-31(30)34(40)38-22-20-36(21-23-38)32(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-11,26-27,30-32H,12-25H2,1H3.
What are the key properties of [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone has a molecular weight of 542.77 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24891377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).