N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide

C23H27N5O2S — CID 45214659

IUPACN-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C(Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-26(23(30)20-9-12-31-15-20)21(13-18-5-3-2-4-6-18)19-7-10-27(11-8-19)22(29)14-28-17-24-16-25-28/h2-6,9,12,15-17,19,21H,7-8,10-11,13-14H2,1H3
InChIKeyBJSGEXTZUKFHSG-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.96
Rot. Bonds7

About N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide

N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide (PubChem CID 45214659) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
PubChem CID45214659
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C(Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-26(23(30)20-9-12-31-15-20)21(13-18-5-3-2-4-6-18)19-7-10-27(11-8-19)22(29)14-28-17-24-16-25-28/h2-6,9,12,15-17,19,21H,7-8,10-11,13-14H2,1H3
InChIKeyBJSGEXTZUKFHSG-UHFFFAOYSA-N
XLogP2.96
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 25290635
N-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989
N-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 26322292
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-methyl-N-[(1S)-2-phenyl-1-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 42276524
N-[(1R)-1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 26278267
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 45204957
N-[2-(2-fluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45169122
N-[(1R)-2-(3-methoxyphenyl)-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26403696
N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 45245666

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide (CID 45214659) is N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide is CN(C(=O)c1ccsc1)C(Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1.
What is the InChIKey of N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is BJSGEXTZUKFHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-26(23(30)20-9-12-31-15-20)21(13-18-5-3-2-4-6-18)19-7-10-27(11-8-19)22(29)14-28-17-24-16-25-28/h2-6,9,12,15-17,19,21H,7-8,10-11,13-14H2,1H3.
What are the key properties of N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 45214659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).