N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H22ClN5OS — CID 119727861

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C15H21N5OS.ClH/c1-2-12-3-4-13(22-12)9-17-15(21)14-10-20(19-18-14)11-5-7-16-8-6-11;/h3-4,10-11,16H,2,5-9H2,1H3,(H,17,21);1H
InChIKeyNFLNIVWPDRYCEB-UHFFFAOYSA-N
MW355.90 g/mol
LogP2.18
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119727861) has the molecular formula C15H22ClN5OS and a molecular weight of 355.90 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119727861
Molecular FormulaC15H22ClN5OS
Molecular Weight355.90 g/mol
Exact Mass355.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)s1.Cl
InChIInChI=1S/C15H21N5OS.ClH/c1-2-12-3-4-13(22-12)9-17-15(21)14-10-20(19-18-14)11-5-7-16-8-6-11;/h3-4,10-11,16H,2,5-9H2,1H3,(H,17,21);1H
InChIKeyNFLNIVWPDRYCEB-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.90
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119755289
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106381319
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119727861) is N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)s1.Cl.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is NFLNIVWPDRYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.ClH/c1-2-12-3-4-13(22-12)9-17-15(21)14-10-20(19-18-14)11-5-7-16-8-6-11;/h3-4,10-11,16H,2,5-9H2,1H3,(H,17,21);1H.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 355.90 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119727861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).