N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide

C17H22N4O2 — CID 119302636

IUPACN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(-n2ccc(CNC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-15-7-5-14(6-8-15)21-11-9-13(20-21)12-19-17(22)16-4-2-3-10-18-16/h5-9,11,16,18H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyILNGDOKSLOOROD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide (PubChem CID 119302636) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
PubChem CID119302636
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(-n2ccc(CNC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-15-7-5-14(6-8-15)21-11-9-13(20-21)12-19-17(22)16-4-2-3-10-18-16/h5-9,11,16,18H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyILNGDOKSLOOROD-UHFFFAOYSA-N
XLogP1.64
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
CID 119343356
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide (CID 119302636) is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide is COc1ccc(-n2ccc(CNC(=O)C3CCCCN3)n2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide?
The InChIKey is ILNGDOKSLOOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-15-7-5-14(6-8-15)21-11-9-13(20-21)12-19-17(22)16-4-2-3-10-18-16/h5-9,11,16,18H,2-4,10,12H2,1H3,(H,19,22).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide?
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119302636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).