(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide

C21H30N4O2 — CID 97278533

IUPAC(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
SMILESCCOCCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C21H30N4O2/c1-4-27-14-13-24-12-6-5-7-20(24)21(26)22-18-8-10-19(11-9-18)25-17(3)15-16(2)23-25/h8-11,15,20H,4-7,12-14H2,1-3H3,(H,22,26)/t20-/m1/s1
InChIKeyUWAZEJUGIPXPLS-HXUWFJFHSA-N
MW370.50 g/mol
LogP3.32
Rot. Bonds7

About (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide (PubChem CID 97278533) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
PubChem CID97278533
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
SMILESCCOCCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C21H30N4O2/c1-4-27-14-13-24-12-6-5-7-20(24)21(26)22-18-8-10-19(11-9-18)25-17(3)15-16(2)23-25/h8-11,15,20H,4-7,12-14H2,1-3H3,(H,22,26)/t20-/m1/s1
InChIKeyUWAZEJUGIPXPLS-HXUWFJFHSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
(2S)-1-(3-acetamidopropanoyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42461240
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404372
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404371
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidine-2-carboxamide
CID 45174140
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 25287889
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide (CID 97278533) is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide is CCOCCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide?
The InChIKey is UWAZEJUGIPXPLS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-27-14-13-24-12-6-5-7-20(24)21(26)22-18-8-10-19(11-9-18)25-17(3)15-16(2)23-25/h8-11,15,20H,4-7,12-14H2,1-3H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide?
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide is sourced from PubChem (CID 97278533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).