(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide

C14H23N5O2 — CID 97095575

IUPAC(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ncnn2C)C1
InChIInChI=1S/C14H23N5O2/c1-4-10(2)13(21)19-7-5-6-11(8-19)12(20)17-14-15-9-16-18(14)3/h9-11H,4-8H2,1-3H3,(H,15,16,17,20)/t10-,11-/m1/s1
InChIKeyBXWLAMGRPHCPNQ-GHMZBOCLSA-N
MW293.37 g/mol
LogP1.04
Rot. Bonds4

About (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide

(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide (PubChem CID 97095575) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
PubChem CID97095575
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ncnn2C)C1
InChIInChI=1S/C14H23N5O2/c1-4-10(2)13(21)19-7-5-6-11(8-19)12(20)17-14-15-9-16-18(14)3/h9-11H,4-8H2,1-3H3,(H,15,16,17,20)/t10-,11-/m1/s1
InChIKeyBXWLAMGRPHCPNQ-GHMZBOCLSA-N
XLogP1.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
trans-(1R,2R)-2-[4-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584741
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119618169
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119510783
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide (CID 97095575) is (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide is CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ncnn2C)C1.
What is the InChIKey of (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The InChIKey is BXWLAMGRPHCPNQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-10(2)13(21)19-7-5-6-11(8-19)12(20)17-14-15-9-16-18(14)3/h9-11H,4-8H2,1-3H3,(H,15,16,17,20)/t10-,11-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97095575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).