(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H30N6O2 — CID 92591995

IUPAC(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cn2cc(C)nn2)C1
InChIInChI=1S/C25H30N6O2/c1-3-27-24(33)25(15-20-6-4-7-22(14-20)21-8-11-26-12-9-21)10-5-13-30(18-25)23(32)17-31-16-19(2)28-29-31/h4,6-9,11-12,14,16H,3,5,10,13,15,17-18H2,1-2H3,(H,27,33)/t25-/m1/s1
InChIKeyCJIAJMBEYWHFTI-RUZDIDTESA-N
MW446.56 g/mol
LogP2.64
Rot. Bonds7

About (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92591995) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92591995
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cn2cc(C)nn2)C1
InChIInChI=1S/C25H30N6O2/c1-3-27-24(33)25(15-20-6-4-7-22(14-20)21-8-11-26-12-9-21)10-5-13-30(18-25)23(32)17-31-16-19(2)28-29-31/h4,6-9,11-12,14,16H,3,5,10,13,15,17-18H2,1-2H3,(H,27,33)/t25-/m1/s1
InChIKeyCJIAJMBEYWHFTI-RUZDIDTESA-N
XLogP2.64
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-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

(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232111
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125
(3S)-N,N-dimethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92562921
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591895
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579617
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592146
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92591995) is (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cn2cc(C)nn2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CJIAJMBEYWHFTI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N6O2/c1-3-27-24(33)25(15-20-6-4-7-22(14-20)21-8-11-26-12-9-21)10-5-13-30(18-25)23(32)17-31-16-19(2)28-29-31/h4,6-9,11-12,14,16H,3,5,10,13,15,17-18H2,1-2H3,(H,27,33)/t25-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92591995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).