1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C27H35N3O3 — CID 125010180

IUPAC1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1
InChIInChI=1S/C27H35N3O3/c1-2-14-29-26(32)27(12-16-30(17-13-27)25(31)24-11-5-6-18-33-24)19-21-8-3-4-10-23(21)22-9-7-15-28-20-22/h3-4,7-10,15,20,24H,2,5-6,11-14,16-19H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyVHNZVSFTMDNHMW-DEOSSOPVSA-N
MW449.60 g/mol
LogP4.00
Rot. Bonds7

About 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 125010180) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID125010180
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1
InChIInChI=1S/C27H35N3O3/c1-2-14-29-26(32)27(12-16-30(17-13-27)25(31)24-11-5-6-18-33-24)19-21-8-3-4-10-23(21)22-9-7-15-28-20-22/h3-4,7-10,15,20,24H,2,5-6,11-14,16-19H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyVHNZVSFTMDNHMW-DEOSSOPVSA-N
XLogP4.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609697
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231777
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
(3R)-1-[(2R)-oxane-2-carbonyl]-3-[(2-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579797
(3R)-1-[(2R)-oxane-2-carbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579606
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110232770
(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
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231835
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 125010180) is 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1.
What is the InChIKey of 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VHNZVSFTMDNHMW-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-2-14-29-26(32)27(12-16-30(17-13-27)25(31)24-11-5-6-18-33-24)19-21-8-3-4-10-23(21)22-9-7-15-28-20-22/h3-4,7-10,15,20,24H,2,5-6,11-14,16-19H2,1H3,(H,29,32)/t24-/m0/s1.
What are the key properties of 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 125010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).