5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C17H21N5O3 — CID 122102780

IUPAC5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1
InChIInChI=1S/C17H21N5O3/c1-11-7-13(16(23)24)9-22(8-11)17(25)19-14-5-3-12(4-6-14)15-18-10-21(2)20-15/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,25)(H,23,24)
InChIKeyJKPKLOACWLQRSS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.06
Rot. Bonds3

About 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102780) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102780
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1
InChIInChI=1S/C17H21N5O3/c1-11-7-13(16(23)24)9-22(8-11)17(25)19-14-5-3-12(4-6-14)15-18-10-21(2)20-15/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,25)(H,23,24)
InChIKeyJKPKLOACWLQRSS-UHFFFAOYSA-N
XLogP2.06
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
3-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089272
3-hydroxy-3-(hydroxymethyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 166350685
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[4-(3-amino-3-oxopropoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102372
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 167901294

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122102780) is 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1.
What is the InChIKey of 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JKPKLOACWLQRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-7-13(16(23)24)9-22(8-11)17(25)19-14-5-3-12(4-6-14)15-18-10-21(2)20-15/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,25)(H,23,24).
What are the key properties of 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).