(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C19H26N4O2 — CID 97068500

IUPAC(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)18-8-4-3-7-17(18)11-20-19(25)22-9-5-6-16(12-22)13-24/h3-4,7-8,10,16,24H,5-6,9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyOEIJPLPIHKUKHE-INIZCTEOSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds4

About (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 97068500) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID97068500
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)18-8-4-3-7-17(18)11-20-19(25)22-9-5-6-16(12-22)13-24/h3-4,7-8,10,16,24H,5-6,9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyOEIJPLPIHKUKHE-INIZCTEOSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 97068500) is (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCC[C@H](CO)C2)n1.
What is the InChIKey of (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is OEIJPLPIHKUKHE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)18-8-4-3-7-17(18)11-20-19(25)22-9-5-6-16(12-22)13-24/h3-4,7-8,10,16,24H,5-6,9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1.
What are the key properties of (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97068500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).