N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide

C17H23N5O — CID 154779982

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCn1ncnc1NC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-21-16(18-13-19-21)20-17(23)22-11-9-15(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19,20,23)
InChIKeyFSQQPGZYFDQTQY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds4

About N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide

N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 154779982) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID154779982
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCn1ncnc1NC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-21-16(18-13-19-21)20-17(23)22-11-9-15(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19,20,23)
InChIKeyFSQQPGZYFDQTQY-UHFFFAOYSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide (CID 154779982) is N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide is Cn1ncnc1NC(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is FSQQPGZYFDQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-16(18-13-19-21)20-17(23)22-11-9-15(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19,20,23).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-4-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 154779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).