(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide

C17H19N5O2 — CID 167799793

IUPAC(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ncn[nH]2)C1
InChIInChI=1S/C17H19N5O2/c1-2-15(23)22-9-5-6-12(10-22)17(24)20-14-8-4-3-7-13(14)16-18-11-19-21-16/h2-4,7-8,11-12H,1,5-6,9-10H2,(H,20,24)(H,18,19,21)/t12-/m1/s1
InChIKeyPRJBLMZSAPSPDG-GFCCVEGCSA-N
MW325.37 g/mol
LogP1.83
Rot. Bonds4

About (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide

(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 167799793) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID167799793
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ncn[nH]2)C1
InChIInChI=1S/C17H19N5O2/c1-2-15(23)22-9-5-6-12(10-22)17(24)20-14-8-4-3-7-13(14)16-18-11-19-21-16/h2-4,7-8,11-12H,1,5-6,9-10H2,(H,20,24)(H,18,19,21)/t12-/m1/s1
InChIKeyPRJBLMZSAPSPDG-GFCCVEGCSA-N
XLogP1.83
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]thietane-3-carboxamide
CID 171678761
N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167809419
N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166421110
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
1-prop-2-enoyl-N'-(3-sulfanylidene-4H-quinoxalin-2-yl)piperidine-3-carbohydrazide
CID 166287455
(3R)-1-(thiophene-2-carbonyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboxamide
CID 30864097
N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411311
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
N-[2-(2-phenylethynyl)phenyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166419736

Frequently Asked Questions

What is the IUPAC name of (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide (CID 167799793) is (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide is C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ncn[nH]2)C1.
What is the InChIKey of (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is PRJBLMZSAPSPDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-15(23)22-9-5-6-12(10-22)17(24)20-14-8-4-3-7-13(14)16-18-11-19-21-16/h2-4,7-8,11-12H,1,5-6,9-10H2,(H,20,24)(H,18,19,21)/t12-/m1/s1.
What are the key properties of (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).