4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide

C14H17ClN6O2S — CID 126826858

IUPAC4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn(C2CCN(C(=O)NCc3ccc(Cl)s3)CC2)nn1
InChIInChI=1S/C14H17ClN6O2S/c15-12-2-1-10(24-12)7-17-14(23)20-5-3-9(4-6-20)21-8-11(13(16)22)18-19-21/h1-2,8-9H,3-7H2,(H2,16,22)(H,17,23)
InChIKeyYLASQSJLBKZTFG-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide

4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 126826858) has the molecular formula C14H17ClN6O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
PubChem CID126826858
Molecular FormulaC14H17ClN6O2S
Molecular Weight368.85 g/mol
Exact Mass368.08
IUPAC Name4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn(C2CCN(C(=O)NCc3ccc(Cl)s3)CC2)nn1
InChIInChI=1S/C14H17ClN6O2S/c15-12-2-1-10(24-12)7-17-14(23)20-5-3-9(4-6-20)21-8-11(13(16)22)18-19-21/h1-2,8-9H,3-7H2,(H2,16,22)(H,17,23)
InChIKeyYLASQSJLBKZTFG-UHFFFAOYSA-N
XLogP1.64
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688580
4-(4-carbamoyltriazol-1-yl)-N-[(1S)-1-cyclopropyl-2-methylpropyl]piperidine-1-carboxamide
CID 164639896
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 75813166
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 51084818
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
CID 154765242
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
4-[[[3-(4-methoxycarbonyltriazol-1-yl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020806
(3aS,6aS)-N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole-5-carboxamide
CID 136588124
(4aR,8aR)-N-[(5-chlorothiophen-2-yl)methyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124611075

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide (CID 126826858) is 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide is NC(=O)c1cn(C2CCN(C(=O)NCc3ccc(Cl)s3)CC2)nn1.
What is the InChIKey of 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YLASQSJLBKZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S/c15-12-2-1-10(24-12)7-17-14(23)20-5-3-9(4-6-20)21-8-11(13(16)22)18-19-21/h1-2,8-9H,3-7H2,(H2,16,22)(H,17,23).
What are the key properties of 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide?
4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126826858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).