(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone

C28H35N3O2 — CID 24891624

IUPAC(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
SMILESCC1CCCN(C(=O)C2CC2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C28H35N3O2/c1-21-9-8-14-31(20-21)28(33)25-19-24(25)27(32)30-17-15-29(16-18-30)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-26H,8-9,14-20H2,1H3
InChIKeyNJAZJSFNQBHJJS-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.81
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone

(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone (PubChem CID 24891624) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
PubChem CID24891624
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
SMILESCC1CCCN(C(=O)C2CC2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C28H35N3O2/c1-21-9-8-14-31(20-21)28(33)25-19-24(25)27(32)30-17-15-29(16-18-30)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-26H,8-9,14-20H2,1H3
InChIKeyNJAZJSFNQBHJJS-UHFFFAOYSA-N
XLogP3.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone with MolForge

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Related Compounds

[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 24891377
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
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 35552494
2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109140472
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone (CID 24891624) is (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone is CC1CCCN(C(=O)C2CC2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone?
The InChIKey is NJAZJSFNQBHJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-21-9-8-14-31(20-21)28(33)25-19-24(25)27(32)30-17-15-29(16-18-30)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,21,24-26H,8-9,14-20H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone has a molecular weight of 445.61 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone is sourced from PubChem (CID 24891624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).