(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide

C16H24N4O2 — CID 95776174

IUPAC(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C16H24N4O2/c1-4-8-20-9-6-5-7-14(20)15(21)17-12-16(2,22)13-10-18-19(3)11-13/h1,10-11,14,22H,5-9,12H2,2-3H3,(H,17,21)/t14-,16-/m0/s1
InChIKeyLICDQEFLLDEIBI-HOCLYGCPSA-N
MW304.39 g/mol
LogP0.23
Rot. Bonds5

About (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide

(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 95776174) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID95776174
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C16H24N4O2/c1-4-8-20-9-6-5-7-14(20)15(21)17-12-16(2,22)13-10-18-19(3)11-13/h1,10-11,14,22H,5-9,12H2,2-3H3,(H,17,21)/t14-,16-/m0/s1
InChIKeyLICDQEFLLDEIBI-HOCLYGCPSA-N
XLogP0.23
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 95776174) is (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCC[C@H]1C(=O)NC[C@](C)(O)c1cnn(C)c1.
What is the InChIKey of (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is LICDQEFLLDEIBI-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-8-20-9-6-5-7-14(20)15(21)17-12-16(2,22)13-10-18-19(3)11-13/h1,10-11,14,22H,5-9,12H2,2-3H3,(H,17,21)/t14-,16-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide?
(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 95776174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).