N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide

C24H36N6O2 — CID 126464666

IUPACN-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn(C2CCN(C3CCN(CCc4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C24H36N6O2/c31-18-4-12-25-24(32)23-19-30(27-26-23)22-10-16-29(17-11-22)21-8-14-28(15-9-21)13-7-20-5-2-1-3-6-20/h1-3,5-6,19,21-22,31H,4,7-18H2,(H,25,32)
InChIKeyCAUUAKZDRLEMSW-UHFFFAOYSA-N
MW440.59 g/mol
LogP1.73
Rot. Bonds9

About N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide

N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 126464666) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID126464666
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC NameN-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn(C2CCN(C3CCN(CCc4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C24H36N6O2/c31-18-4-12-25-24(32)23-19-30(27-26-23)22-10-16-29(17-11-22)21-8-14-28(15-9-21)13-7-20-5-2-1-3-6-20/h1-3,5-6,19,21-22,31H,4,7-18H2,(H,25,32)
InChIKeyCAUUAKZDRLEMSW-UHFFFAOYSA-N
XLogP1.73
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26344410
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26281259
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide (CID 126464666) is N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide is O=C(NCCCO)c1cn(C2CCN(C3CCN(CCc4ccccc4)CC3)CC2)nn1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is CAUUAKZDRLEMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c31-18-4-12-25-24(32)23-19-30(27-26-23)22-10-16-29(17-11-22)21-8-14-28(15-9-21)13-7-20-5-2-1-3-6-20/h1-3,5-6,19,21-22,31H,4,7-18H2,(H,25,32).
What are the key properties of N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 126464666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).