(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C18H23N5O2 — CID 96532804

IUPAC(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)[C@H](C)n2cncn2)CC1
InChIInChI=1S/C18H23N5O2/c1-13-7-9-22(10-8-13)18(25)15-5-3-4-6-16(15)21-17(24)14(2)23-12-19-11-20-23/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyGCRQTSNTRDWBFK-AWEZNQCLSA-N
MW341.42 g/mol
LogP2.35
Rot. Bonds4

About (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 96532804) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID96532804
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)[C@H](C)n2cncn2)CC1
InChIInChI=1S/C18H23N5O2/c1-13-7-9-22(10-8-13)18(25)15-5-3-4-6-16(15)21-17(24)14(2)23-12-19-11-20-23/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyGCRQTSNTRDWBFK-AWEZNQCLSA-N
XLogP2.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532803
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 50965855
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4939471
2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 154833965

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 96532804) is (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC1CCN(C(=O)c2ccccc2NC(=O)[C@H](C)n2cncn2)CC1.
What is the InChIKey of (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GCRQTSNTRDWBFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-7-9-22(10-8-13)18(25)15-5-3-4-6-16(15)21-17(24)14(2)23-12-19-11-20-23/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 341.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 96532804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).