N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide

C26H34N2O2 — CID 95805699

IUPACN,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C26H34N2O2/c1-20(2)18-24(29)28-16-14-26(15-17-28,25(30)27(3)4)19-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,20H,14-19H2,1-4H3
InChIKeyLDYBTTPHYABFHR-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.64
Rot. Bonds6

About N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide

N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805699) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805699
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C26H34N2O2/c1-20(2)18-24(29)28-16-14-26(15-17-28,25(30)27(3)4)19-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,20H,14-19H2,1-4H3
InChIKeyLDYBTTPHYABFHR-UHFFFAOYSA-N
XLogP4.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110082392
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95804070
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578906
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide (CID 95805699) is N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LDYBTTPHYABFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-20(2)18-24(29)28-16-14-26(15-17-28,25(30)27(3)4)19-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,20H,14-19H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).