N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 119852249

IUPACN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(Cn2cncn2)c1)C1CCNCC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-4-6-16-7-5-13)19-14-3-1-2-12(8-14)9-20-11-17-10-18-20;;/h1-3,8,10-11,13,16H,4-7,9H2,(H,19,21);2*1H
InChIKeyRXBTUONOVZQMND-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.11
Rot. Bonds4

About N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119852249) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119852249
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC NameN-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(Cn2cncn2)c1)C1CCNCC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-4-6-16-7-5-13)19-14-3-1-2-12(8-14)9-20-11-17-10-18-20;;/h1-3,8,10-11,13,16H,4-7,9H2,(H,19,21);2*1H
InChIKeyRXBTUONOVZQMND-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride 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-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939329
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120939332
4-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209719
(3R)-1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 51960621
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119838492
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119852249) is N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(Cn2cncn2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is RXBTUONOVZQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c21-15(13-4-6-16-7-5-13)19-14-3-1-2-12(8-14)9-20-11-17-10-18-20;;/h1-3,8,10-11,13,16H,4-7,9H2,(H,19,21);2*1H.
What are the key properties of N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119852249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).