(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide

C13H19N3O2 — CID 81124657

IUPAC(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H19N3O2/c1-18-13-11(5-3-7-15-13)9-16-12(17)10-4-2-6-14-8-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyZQVBYBYLPOWQAW-JTQLQIEISA-N
MW249.31 g/mol
LogP0.71
Rot. Bonds4

About (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide

(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 81124657) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID81124657
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H19N3O2/c1-18-13-11(5-3-7-15-13)9-16-12(17)10-4-2-6-14-8-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyZQVBYBYLPOWQAW-JTQLQIEISA-N
XLogP0.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 81124657) is (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide is COc1ncccc1CNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZQVBYBYLPOWQAW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-11(5-3-7-15-13)9-16-12(17)10-4-2-6-14-8-10/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81124657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).