2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

C19H26N4O — CID 139001157

IUPAC2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCCCC2Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,2,6-7,10-13H2,1H3,(H,20,24)
InChIKeyIASSPAGYIGPHNN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.21
Rot. Bonds5

About 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 139001157) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID139001157
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCCCC2Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,2,6-7,10-13H2,1H3,(H,20,24)
InChIKeyIASSPAGYIGPHNN-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125143048
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
methyl 2-benzylazepane-1-carboxylate
CID 102314657
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 121499385
2-benzyl-N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880145
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 139001157) is 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is CCn1cc(CNC(=O)N2CCCCC2Cc2ccccc2)cn1.
What is the InChIKey of 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IASSPAGYIGPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-22-15-17(14-21-22)13-20-19(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,2,6-7,10-13H2,1H3,(H,20,24).
What are the key properties of 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 139001157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).