(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

C18H24N4O2 — CID 97089146

IUPAC(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(24)21-10-4-6-15(12-21)13-23)16-7-2-3-8-17(16)22-11-5-9-19-22/h2-3,5,7-9,11,14-15,23H,4,6,10,12-13H2,1H3,(H,20,24)/t14-,15+/m1/s1
InChIKeyNJGAYXFDJCJXIR-CABCVRRESA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds4

About (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 97089146) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID97089146
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(24)21-10-4-6-15(12-21)13-23)16-7-2-3-8-17(16)22-11-5-9-19-22/h2-3,5,7-9,11,14-15,23H,4,6,10,12-13H2,1H3,(H,20,24)/t14-,15+/m1/s1
InChIKeyNJGAYXFDJCJXIR-CABCVRRESA-N
XLogP2.35
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 86818018
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597531

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (CID 97089146) is (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1ccccc1-n1cccn1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is NJGAYXFDJCJXIR-CABCVRRESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(20-18(24)21-10-4-6-15(12-21)13-23)16-7-2-3-8-17(16)22-11-5-9-19-22/h2-3,5,7-9,11,14-15,23H,4,6,10,12-13H2,1H3,(H,20,24)/t14-,15+/m1/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97089146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).