(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone

C30H39N5O3 — CID 24891233

IUPAC(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone
SMILESO=C(C1CC1C(=O)N1CCN(N2CCOCC2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H39N5O3/c36-29(26-23-27(26)30(37)33-15-17-34(18-16-33)35-19-21-38-22-20-35)32-13-11-31(12-14-32)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-28H,11-23H2
InChIKeyFKXMZRQGSBYSNJ-UHFFFAOYSA-N
MW517.67 g/mol
LogP1.95
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone

(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone (PubChem CID 24891233) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone
PubChem CID24891233
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone
SMILESO=C(C1CC1C(=O)N1CCN(N2CCOCC2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H39N5O3/c36-29(26-23-27(26)30(37)33-15-17-34(18-16-33)35-19-21-38-22-20-35)32-13-11-31(12-14-32)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-28H,11-23H2
InChIKeyFKXMZRQGSBYSNJ-UHFFFAOYSA-N
XLogP1.95
TPSA59.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

trans-(1S,2S)-2-(4-benzhydrylpiperazine-1-carbonyl)-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 24891472
(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 24891624
2-(morpholine-4-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 109133281
[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 24891377
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
3-(4-benzhydrylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2862936
(1S,2R,3S,4S)-3-(4-benzhydrylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98149904
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone (CID 24891233) is (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone is O=C(C1CC1C(=O)N1CCN(N2CCOCC2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone?
The InChIKey is FKXMZRQGSBYSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c36-29(26-23-27(26)30(37)33-15-17-34(18-16-33)35-19-21-38-22-20-35)32-13-11-31(12-14-32)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-28H,11-23H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone has a molecular weight of 517.67 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone is sourced from PubChem (CID 24891233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).