N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H33N3O2 — CID 110232111

IUPACN-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-4-27-24(30)25(11-6-14-28(18-25)23(29)15-19(2)3)17-20-7-5-8-22(16-20)21-9-12-26-13-10-21/h5,7-10,12-13,16,19H,4,6,11,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyQDJQHOLUIJXOFG-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.08
Rot. Bonds7

About N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232111) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232111
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-4-27-24(30)25(11-6-14-28(18-25)23(29)15-19(2)3)17-20-7-5-8-22(16-20)21-9-12-26-13-10-21/h5,7-10,12-13,16,19H,4,6,11,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyQDJQHOLUIJXOFG-UHFFFAOYSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578906
(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-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591995
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579617
(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125
(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592175
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591895
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232111) is N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QDJQHOLUIJXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-27-24(30)25(11-6-14-28(18-25)23(29)15-19(2)3)17-20-7-5-8-22(16-20)21-9-12-26-13-10-21/h5,7-10,12-13,16,19H,4,6,11,14-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).