N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide

C19H25N5O — CID 119752331

IUPACN-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
SMILESC=CCN(CCc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O/c1-2-13-23(14-10-16-6-4-3-5-7-16)19(25)18-15-24(22-21-18)17-8-11-20-12-9-17/h2-7,15,17,20H,1,8-14H2
InChIKeyPIGVUFURSSEYGL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.07
Rot. Bonds7

About N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide

N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide (PubChem CID 119752331) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
PubChem CID119752331
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
SMILESC=CCN(CCc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O/c1-2-13-23(14-10-16-6-4-3-5-7-16)19(25)18-15-24(22-21-18)17-8-11-20-12-9-17/h2-7,15,17,20H,1,8-14H2
InChIKeyPIGVUFURSSEYGL-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide 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

1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide (CID 119752331) is N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide is C=CCN(CCc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide?
The InChIKey is PIGVUFURSSEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-13-23(14-10-16-6-4-3-5-7-16)19(25)18-15-24(22-21-18)17-8-11-20-12-9-17/h2-7,15,17,20H,1,8-14H2.
What are the key properties of N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide?
N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide is sourced from PubChem (CID 119752331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).