3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

C19H26N4O2 — CID 139004459

IUPAC3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-15-11-17(22(2)21-15)20-18(25)23-10-6-9-19(13-23,14-24)12-16-7-4-3-5-8-16/h3-5,7-8,11,24H,6,9-10,12-14H2,1-2H3,(H,20,25)
InChIKeyHGMOFBDPHSRECG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.58
Rot. Bonds4

About 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 139004459) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID139004459
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-15-11-17(22(2)21-15)20-18(25)23-10-6-9-19(13-23,14-24)12-16-7-4-3-5-8-16/h3-5,7-8,11,24H,6,9-10,12-14H2,1-2H3,(H,20,25)
InChIKeyHGMOFBDPHSRECG-UHFFFAOYSA-N
XLogP2.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633
3-benzyl-N-[5-(dimethylsulfamoyl)-2-pyridinyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139005074
4-[[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020119
4-[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022016
1-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45171451
3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 146128739
(1,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methanone
CID 45241873
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
(3-ethyl-1-methylpyrazol-5-yl)-[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42465945
N-[3-[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166407336
(3-ethyl-1-methylpyrazol-5-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 24816680
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 139004459) is 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC(CO)(Cc3ccccc3)C2)n(C)n1.
What is the InChIKey of 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is HGMOFBDPHSRECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-11-17(22(2)21-15)20-18(25)23-10-6-9-19(13-23,14-24)12-16-7-4-3-5-8-16/h3-5,7-8,11,24H,6,9-10,12-14H2,1-2H3,(H,20,25).
What are the key properties of 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 139004459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).