N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C25H33N3O2 — CID 110231829

IUPACN-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-4-27-24(30)25(12-8-14-28(18-25)23(29)15-19(2)3)16-20-9-5-6-11-22(20)21-10-7-13-26-17-21/h5-7,9-11,13,17,19H,4,8,12,14-16,18H2,1-3H3,(H,27,30)
InChIKeyFUVPKKILHWDZDV-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.08
Rot. Bonds7

About N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231829) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231829
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C25H33N3O2/c1-4-27-24(30)25(12-8-14-28(18-25)23(29)15-19(2)3)16-20-9-5-6-11-22(20)21-10-7-13-26-17-21/h5-7,9-11,13,17,19H,4,8,12,14-16,18H2,1-3H3,(H,27,30)
InChIKeyFUVPKKILHWDZDV-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-(3-methylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578913
(3R)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592103
(3S)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592104
(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231842
(3S)-N-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592040
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3R)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579618
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231835
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231829) is N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FUVPKKILHWDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-27-24(30)25(12-8-14-28(18-25)23(29)15-19(2)3)16-20-9-5-6-11-22(20)21-10-7-13-26-17-21/h5-7,9-11,13,17,19H,4,8,12,14-16,18H2,1-3H3,(H,27,30).
What are the key properties of N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-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-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).