N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H30ClN5O — CID 119797616

IUPACN-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-3-4-14-24(16(2)17-8-6-5-7-9-17)20(26)19-15-25(23-22-19)18-10-12-21-13-11-18;/h5-9,15-16,18,21H,3-4,10-14H2,1-2H3;1H
InChIKeyTXLNLDYWYHKRNY-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.63
Rot. Bonds7

About N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119797616) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119797616
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC NameN-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-3-4-14-24(16(2)17-8-6-5-7-9-17)20(26)19-15-25(23-22-19)18-10-12-21-13-11-18;/h5-9,15-16,18,21H,3-4,10-14H2,1-2H3;1H
InChIKeyTXLNLDYWYHKRNY-UHFFFAOYSA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119797616) is N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCCN(C(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1.Cl.
What is the InChIKey of N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is TXLNLDYWYHKRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-3-4-14-24(16(2)17-8-6-5-7-9-17)20(26)19-15-25(23-22-19)18-10-12-21-13-11-18;/h5-9,15-16,18,21H,3-4,10-14H2,1-2H3;1H.
What are the key properties of N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).