N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C17H23N5O2 — CID 71880415

IUPACN-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)N1CCC(n2cncn2)CC1
InChIInChI=1S/C17H23N5O2/c1-13(15-5-3-4-6-16(15)24-2)20-17(23)21-9-7-14(8-10-21)22-12-18-11-19-22/h3-6,11-14H,7-10H2,1-2H3,(H,20,23)
InChIKeyMNLDBFFKFFUGOZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 71880415) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID71880415
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)N1CCC(n2cncn2)CC1
InChIInChI=1S/C17H23N5O2/c1-13(15-5-3-4-6-16(15)24-2)20-17(23)21-9-7-14(8-10-21)22-12-18-11-19-22/h3-6,11-14H,7-10H2,1-2H3,(H,20,23)
InChIKeyMNLDBFFKFFUGOZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 71880415) is N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is COc1ccccc1C(C)NC(=O)N1CCC(n2cncn2)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is MNLDBFFKFFUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(15-5-3-4-6-16(15)24-2)20-17(23)21-9-7-14(8-10-21)22-12-18-11-19-22/h3-6,11-14H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71880415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).