(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C20H25N3O2 — CID 95308116

IUPAC(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C20H25N3O2/c1-25-15-17-5-4-6-18(13-17)22-20(24)19-7-2-3-12-23(19)14-16-8-10-21-11-9-16/h4-6,8-11,13,19H,2-3,7,12,14-15H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyFPLVIFZGGWFZBE-LJQANCHMSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds6

About (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 95308116) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID95308116
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C20H25N3O2/c1-25-15-17-5-4-6-18(13-17)22-20(24)19-7-2-3-12-23(19)14-16-8-10-21-11-9-16/h4-6,8-11,13,19H,2-3,7,12,14-15H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyFPLVIFZGGWFZBE-LJQANCHMSA-N
XLogP3.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 97314791
N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 75463110
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 56782588
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
CID 131910005
(2S)-N-[3-(tert-butylsulfonylmethyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 95786903
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide
CID 139020635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 95308116) is (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is COCc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)c1.
What is the InChIKey of (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is FPLVIFZGGWFZBE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-15-17-5-4-6-18(13-17)22-20(24)19-7-2-3-12-23(19)14-16-8-10-21-11-9-16/h4-6,8-11,13,19H,2-3,7,12,14-15H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 95308116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).