N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C25H25N3O3 — CID 55633340

IUPACN-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1)c1cccnc1
InChIInChI=1S/C25H25N3O3/c29-24(21-9-5-13-26-17-21)27-22-10-4-8-20(16-22)25(30)28-14-11-23(12-15-28)31-18-19-6-2-1-3-7-19/h1-10,13,16-17,23H,11-12,14-15,18H2,(H,27,29)
InChIKeyINNRWCNILHHLKO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.16
Rot. Bonds6

About N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 55633340) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID55633340
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1)c1cccnc1
InChIInChI=1S/C25H25N3O3/c29-24(21-9-5-13-26-17-21)27-22-10-4-8-20(16-22)25(30)28-14-11-23(12-15-28)31-18-19-6-2-1-3-7-19/h1-10,13,16-17,23H,11-12,14-15,18H2,(H,27,29)
InChIKeyINNRWCNILHHLKO-UHFFFAOYSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 119047654
(3aS,6aR)-2-[3-(pyridine-3-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683411

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 55633340) is N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1)c1cccnc1.
What is the InChIKey of N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is INNRWCNILHHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(21-9-5-13-26-17-21)27-22-10-4-8-20(16-22)25(30)28-14-11-23(12-15-28)31-18-19-6-2-1-3-7-19/h1-10,13,16-17,23H,11-12,14-15,18H2,(H,27,29).
What are the key properties of N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).