N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide

C27H36N4O2 — CID 87025726

IUPACN-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N4O2/c1-2-9-25(32)29-16-14-24(15-17-29)27(33)28-31-20-18-30(19-21-31)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,24,26H,2,9,14-21H2,1H3,(H,28,33)
InChIKeyCFYJHCWEJYXFQC-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.46
Rot. Bonds7

About N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide

N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide (PubChem CID 87025726) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
PubChem CID87025726
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N4O2/c1-2-9-25(32)29-16-14-24(15-17-29)27(33)28-31-20-18-30(19-21-31)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,24,26H,2,9,14-21H2,1H3,(H,28,33)
InChIKeyCFYJHCWEJYXFQC-UHFFFAOYSA-N
XLogP3.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
(2S)-N-(4-benzhydrylpiperazin-1-yl)-3-phenylpyrrolidine-2-carboxamide
CID 86585769
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 87025148
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide?
The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide (CID 87025726) is N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide?
The InChIKey is CFYJHCWEJYXFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-2-9-25(32)29-16-14-24(15-17-29)27(33)28-31-20-18-30(19-21-31)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,24,26H,2,9,14-21H2,1H3,(H,28,33).
What are the key properties of N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide?
N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide is sourced from PubChem (CID 87025726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).