N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide

C20H26N4O2 — CID 135104743

IUPACN-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCn2cccn2)CC1
InChIInChI=1S/C20H26N4O2/c25-19(8-4-12-24-13-5-11-22-24)23-14-9-18(10-15-23)20(26)21-16-17-6-2-1-3-7-17/h1-3,5-7,11,13,18H,4,8-10,12,14-16H2,(H,21,26)
InChIKeyVPKIFXYAOZFSIN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.22
Rot. Bonds7

About N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide

N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide (PubChem CID 135104743) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
PubChem CID135104743
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCn2cccn2)CC1
InChIInChI=1S/C20H26N4O2/c25-19(8-4-12-24-13-5-11-22-24)23-14-9-18(10-15-23)20(26)21-16-17-6-2-1-3-7-17/h1-3,5-7,11,13,18H,4,8-10,12,14-16H2,(H,21,26)
InChIKeyVPKIFXYAOZFSIN-UHFFFAOYSA-N
XLogP2.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
CID 38063702
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
CID 24516071
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzyl-1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 35732801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide (CID 135104743) is N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)CCCn2cccn2)CC1.
What is the InChIKey of N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide?
The InChIKey is VPKIFXYAOZFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(8-4-12-24-13-5-11-22-24)23-14-9-18(10-15-23)20(26)21-16-17-6-2-1-3-7-17/h1-3,5-7,11,13,18H,4,8-10,12,14-16H2,(H,21,26).
What are the key properties of N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide?
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 135104743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).