1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide

C18H21N5O2 — CID 72859646

IUPAC1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-16-9-6-13(11-23(16)14-7-8-14)18(25)19-10-15-20-17(22-21-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,25)(H,20,21,22)
InChIKeyRTLPGZFFNKSIEU-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds5

About 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide

1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 72859646) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID72859646
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-16-9-6-13(11-23(16)14-7-8-14)18(25)19-10-15-20-17(22-21-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,25)(H,20,21,22)
InChIKeyRTLPGZFFNKSIEU-UHFFFAOYSA-N
XLogP1.49
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136696816
(3R)-1-cyclopentyl-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 42595190
methyl 2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 90651139
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
(3R)-1-cyclopropyl-N-(2,2-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 97145622
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 45243115
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 119315533
(3S)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 42516476
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
(3R)-5-oxo-1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95138225

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide (CID 72859646) is 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RTLPGZFFNKSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16-9-6-13(11-23(16)14-7-8-14)18(25)19-10-15-20-17(22-21-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,25)(H,20,21,22).
What are the key properties of 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide?
1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72859646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).