N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride

C19H22ClN5OS — CID 119767436

IUPACN-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C19H21N5OS.ClH/c25-19(18-13-24(22-21-18)17-6-9-20-10-7-17)23(12-15-8-11-26-14-15)16-4-2-1-3-5-16;/h1-5,8,11,13-14,17,20H,6-7,9-10,12H2;1H
InChIKeyKKFRJZQUUDXKIL-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.53
Rot. Bonds5

About N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride

N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119767436) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119767436
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC NameN-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C19H21N5OS.ClH/c25-19(18-13-24(22-21-18)17-6-9-20-10-7-17)23(12-15-8-11-26-14-15)16-4-2-1-3-5-16;/h1-5,8,11,13-14,17,20H,6-7,9-10,12H2;1H
InChIKeyKKFRJZQUUDXKIL-UHFFFAOYSA-N
XLogP3.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 119767433
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
CID 119752331
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride (CID 119767436) is N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(c1cn(C2CCNCC2)nn1)N(Cc1ccsc1)c1ccccc1.
What is the InChIKey of N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is KKFRJZQUUDXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.ClH/c25-19(18-13-24(22-21-18)17-6-9-20-10-7-17)23(12-15-8-11-26-14-15)16-4-2-1-3-5-16;/h1-5,8,11,13-14,17,20H,6-7,9-10,12H2;1H.
What are the key properties of N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride?
N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119767436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).