(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C26H35N3O2 — CID 92552144

IUPAC(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C26H35N3O2/c1-25(2,3)18-23(30)29-16-6-13-26(19-29,24(31)28(4)5)17-20-7-9-21(10-8-20)22-11-14-27-15-12-22/h7-12,14-15H,6,13,16-19H2,1-5H3/t26-/m1/s1
InChIKeyVDKBXZRLUYELJS-AREMUKBSSA-N
MW421.59 g/mol
LogP4.42
Rot. Bonds5

About (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92552144) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92552144
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C26H35N3O2/c1-25(2,3)18-23(30)29-16-6-13-26(19-29,24(31)28(4)5)17-20-7-9-21(10-8-20)22-11-14-27-15-12-22/h7-12,14-15H,6,13,16-19H2,1-5H3/t26-/m1/s1
InChIKeyVDKBXZRLUYELJS-AREMUKBSSA-N
XLogP4.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-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

(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585889
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579617
(3S)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552155
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578906
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585893
(3S)-N,N-dimethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92562921
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579621

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92552144) is (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VDKBXZRLUYELJS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-25(2,3)18-23(30)29-16-6-13-26(19-29,24(31)28(4)5)17-20-7-9-21(10-8-20)22-11-14-27-15-12-22/h7-12,14-15H,6,13,16-19H2,1-5H3/t26-/m1/s1.
What are the key properties of (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).