(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide

C12H20N4O2 — CID 114255871

IUPAC(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2CCCNC2)nn1C
InChIInChI=1S/C12H20N4O2/c1-16-11(18-2)6-10(15-16)8-14-12(17)9-4-3-5-13-7-9/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyPEORVCNYQLDUJT-SECBINFHSA-N
MW252.32 g/mol
LogP0.04
Rot. Bonds4

About (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 114255871) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID114255871
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2CCCNC2)nn1C
InChIInChI=1S/C12H20N4O2/c1-16-11(18-2)6-10(15-16)8-14-12(17)9-4-3-5-13-7-9/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyPEORVCNYQLDUJT-SECBINFHSA-N
XLogP0.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[(2,4,6-trifluorophenyl)methyl]piperidine-3-carboxamide
CID 110482453
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896121
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
CID 65241369
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 114255871) is (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide is COc1cc(CNC(=O)[C@@H]2CCCNC2)nn1C.
What is the InChIKey of (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PEORVCNYQLDUJT-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-11(18-2)6-10(15-16)8-14-12(17)9-4-3-5-13-7-9/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1.
What are the key properties of (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 114255871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).