2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide

C19H26N4O2 — CID 51105702

IUPAC2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCCCC2Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O2/c1-25-12-11-22-15-17(14-20-22)21-19(24)23-10-6-5-9-18(23)13-16-7-3-2-4-8-16/h2-4,7-8,14-15,18H,5-6,9-13H2,1H3,(H,21,24)
InChIKeyBXVVZIBUNOFLQW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.16
Rot. Bonds6

About 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide

2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 51105702) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID51105702
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCCCC2Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O2/c1-25-12-11-22-15-17(14-20-22)21-19(24)23-10-6-5-9-18(23)13-16-7-3-2-4-8-16/h2-4,7-8,14-15,18H,5-6,9-13H2,1H3,(H,21,24)
InChIKeyBXVVZIBUNOFLQW-UHFFFAOYSA-N
XLogP3.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
1-[(2S)-2-benzylpiperidin-1-yl]-4-(2-methoxyethoxy)butan-1-one
CID 95295343
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 51085685
(3aS,6aR)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052754

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 51105702) is 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide is COCCn1cc(NC(=O)N2CCCCC2Cc2ccccc2)cn1.
What is the InChIKey of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is BXVVZIBUNOFLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-12-11-22-15-17(14-20-22)21-19(24)23-10-6-5-9-18(23)13-16-7-3-2-4-8-16/h2-4,7-8,14-15,18H,5-6,9-13H2,1H3,(H,21,24).
What are the key properties of 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 51105702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).