N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C22H34ClN5O — CID 119783777

IUPACN-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C(=O)c1nnn(C2CCNCC2)c1C)C(CC)c1ccccc1.Cl
InChIInChI=1S/C22H33N5O.ClH/c1-4-6-16-26(20(5-2)18-10-8-7-9-11-18)22(28)21-17(3)27(25-24-21)19-12-14-23-15-13-19;/h7-11,19-20,23H,4-6,12-16H2,1-3H3;1H
InChIKeyZFMIUPATVPDLHV-UHFFFAOYSA-N
MW420.00 g/mol
LogP4.33
Rot. Bonds8

About N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119783777) has the molecular formula C22H34ClN5O and a molecular weight of 420.00 g/mol. Its IUPAC name is N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119783777
Molecular FormulaC22H34ClN5O
Molecular Weight420.00 g/mol
Exact Mass419.25
IUPAC NameN-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C(=O)c1nnn(C2CCNCC2)c1C)C(CC)c1ccccc1.Cl
InChIInChI=1S/C22H33N5O.ClH/c1-4-6-16-26(20(5-2)18-10-8-7-9-11-18)22(28)21-17(3)27(25-24-21)19-12-14-23-15-13-19;/h7-11,19-20,23H,4-6,12-16H2,1-3H3;1H
InChIKeyZFMIUPATVPDLHV-UHFFFAOYSA-N
XLogP4.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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CID 119399163
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 119729618
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119783777) is N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCCN(C(=O)c1nnn(C2CCNCC2)c1C)C(CC)c1ccccc1.Cl.
What is the InChIKey of N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is ZFMIUPATVPDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O.ClH/c1-4-6-16-26(20(5-2)18-10-8-7-9-11-18)22(28)21-17(3)27(25-24-21)19-12-14-23-15-13-19;/h7-11,19-20,23H,4-6,12-16H2,1-3H3;1H.
What are the key properties of N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 420.00 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119783777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).