4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

C16H21N5OS — CID 31259100

IUPAC4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(17-15-2-1-9-23-15)20-7-5-12(6-8-20)10-21-11-14(18-19-21)13-3-4-13/h1-2,9,11-13H,3-8,10H2,(H,17,22)
InChIKeyQDJUGXUQSHXYBD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.16
Rot. Bonds4

About 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 31259100) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID31259100
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(17-15-2-1-9-23-15)20-7-5-12(6-8-20)10-21-11-14(18-19-21)13-3-4-13/h1-2,9,11-13H,3-8,10H2,(H,17,22)
InChIKeyQDJUGXUQSHXYBD-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-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

3-{[4-(1-amino-1-ethylpropyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45221934
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 164631714
N-2-thienyl-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinecarboxamide
CID 28642205
N-[(1-{[1-(3-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 29087479
4-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 31044926
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-N-3-thienyl-1-piperidinecarboxamide
CID 31054564
(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074162
(3S)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074166
(3R)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31224663
(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31224665
3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-N-3-thienyl-1-piperidinecarboxamide
CID 45249341
3-[1-({1-[(2-thienylamino)carbonyl]piperidin-3-yl}methyl)-1H-1,2,3-triazol-4-yl]propanoic acid
CID 46992284

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (CID 31259100) is 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is O=C(Nc1cccs1)N1CCC(Cn2cc(C3CC3)nn2)CC1.
What is the InChIKey of 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is QDJUGXUQSHXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(17-15-2-1-9-23-15)20-7-5-12(6-8-20)10-21-11-14(18-19-21)13-3-4-13/h1-2,9,11-13H,3-8,10H2,(H,17,22).
What are the key properties of 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31259100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).