(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

C18H20N6OS — CID 31042566

IUPAC(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(-c3ccncc3)nn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(20-16-5-9-26-13-16)23-8-1-2-14(10-23)11-24-12-17(21-22-24)15-3-6-19-7-4-15/h3-7,9,12-14H,1-2,8,10-11H2,(H,20,25)/t14-/m0/s1
InChIKeyDGVAEHGTHNENPC-AWEZNQCLSA-N
MW368.47 g/mol
LogP3.35
Rot. Bonds4

About (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 31042566) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID31042566
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(-c3ccncc3)nn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(20-16-5-9-26-13-16)23-8-1-2-14(10-23)11-24-12-17(21-22-24)15-3-6-19-7-4-15/h3-7,9,12-14H,1-2,8,10-11H2,(H,20,25)/t14-/m0/s1
InChIKeyDGVAEHGTHNENPC-AWEZNQCLSA-N
XLogP3.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-1-[(3S)-3-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95047427
1-[[(3R)-1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95121607
1-[[1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 50952503
4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31126037
[3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 45233859
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46997964
pyridin-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154889364
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364
N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 45203650
(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 31017640
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
1-[[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95125167

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 31042566) is (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is O=C(Nc1ccsc1)N1CCC[C@H](Cn2cc(-c3ccncc3)nn2)C1.
What is the InChIKey of (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is DGVAEHGTHNENPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(20-16-5-9-26-13-16)23-8-1-2-14(10-23)11-24-12-17(21-22-24)15-3-6-19-7-4-15/h3-7,9,12-14H,1-2,8,10-11H2,(H,20,25)/t14-/m0/s1.
What are the key properties of (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 31042566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).