N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide

C23H33N5O3 — CID 45224059

IUPACN,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CCc3cccc(OC)c3)C2)nn1
InChIInChI=1S/C23H33N5O3/c1-4-26(5-2)23(30)21-17-28(25-24-21)16-19-9-7-13-27(15-19)22(29)12-11-18-8-6-10-20(14-18)31-3/h6,8,10,14,17,19H,4-5,7,9,11-13,15-16H2,1-3H3
InChIKeyXUUPCUXDYLAEFH-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.64
Rot. Bonds9

About N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide

N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 45224059) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID45224059
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CCc3cccc(OC)c3)C2)nn1
InChIInChI=1S/C23H33N5O3/c1-4-26(5-2)23(30)21-17-28(25-24-21)16-19-9-7-13-27(15-19)22(29)12-11-18-8-6-10-20(14-18)31-3/h6,8,10,14,17,19H,4-5,7,9,11-13,15-16H2,1-3H3
InChIKeyXUUPCUXDYLAEFH-UHFFFAOYSA-N
XLogP2.64
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-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

1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 45179659
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-[[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26341215
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 45219675
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45234346
N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45202777
1-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 42455323
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45243638
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
1-[[(3R)-1-[(4-acetamidophenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26348448

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide (CID 45224059) is N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CCc3cccc(OC)c3)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is XUUPCUXDYLAEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-4-26(5-2)23(30)21-17-28(25-24-21)16-19-9-7-13-27(15-19)22(29)12-11-18-8-6-10-20(14-18)31-3/h6,8,10,14,17,19H,4-5,7,9,11-13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide?
N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 45224059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).