1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide

C23H27N3O — CID 11501402

IUPAC1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide
SMILESN#CC(CCCN1CCC(C(N)=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-26-16-12-19(13-17-26)22(25)27/h1-6,8-11,19H,7,12-17H2,(H2,25,27)
InChIKeyBLVFFGKFTYGZAD-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.47
Rot. Bonds7

About 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide

1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide (PubChem CID 11501402) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide
PubChem CID11501402
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide
SMILESN#CC(CCCN1CCC(C(N)=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-26-16-12-19(13-17-26)22(25)27/h1-6,8-11,19H,7,12-17H2,(H2,25,27)
InChIKeyBLVFFGKFTYGZAD-UHFFFAOYSA-N
XLogP3.47
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piritramide
CID 9331
Fenpiverinium Bromide
CID 71489
Fenpiverinium
CID 71490
2,2-Diphenyl-4-piperidin-1-ylbutanenitrile
CID 224577
alpha,alpha-Diphenyl-1-piperidinebutanamide
CID 65573
gamma-(Aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenylbenzenepropanaminium
CID 8277
1-Phenylpropyl-4-phenylpiperidine-4-carbonitrile
CID 24885965
1-Phenylbutyl-4-phenylpiperidine-4-carbonitrile
CID 13599612
Fenpipramide Hydrochloride
CID 166974
beta-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrile
CID 86560
2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramide
CID 44288459
N-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
CID 44288740

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide (CID 11501402) is 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide is N#CC(CCCN1CCC(C(N)=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide?
The InChIKey is BLVFFGKFTYGZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-26-16-12-19(13-17-26)22(25)27/h1-6,8-11,19H,7,12-17H2,(H2,25,27).
What are the key properties of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide?
1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 11501402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).