(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'}

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111458030
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903

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).