N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide

C20H21N5O2 — CID 155952693

IUPACN-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C20H21N5O2/c26-18-10-12-24(13-11-18)16-8-6-15(7-9-16)22-20(27)19-14-21-23-25(19)17-4-2-1-3-5-17/h1-9,14,18,26H,10-13H2,(H,22,27)
InChIKeyKUGYVDNOBJJKQB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide

N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide (PubChem CID 155952693) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide
PubChem CID155952693
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C20H21N5O2/c26-18-10-12-24(13-11-18)16-8-6-15(7-9-16)22-20(27)19-14-21-23-25(19)17-4-2-1-3-5-17/h1-9,14,18,26H,10-13H2,(H,22,27)
InChIKeyKUGYVDNOBJJKQB-UHFFFAOYSA-N
XLogP2.48
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxan-4-yl)pyrimidin-5-yl]-3-phenyltriazole-4-carboxamide
CID 155957650
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69182814
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 90595800
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide (CID 155952693) is N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide is O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide?
The InChIKey is KUGYVDNOBJJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18-10-12-24(13-11-18)16-8-6-15(7-9-16)22-20(27)19-14-21-23-25(19)17-4-2-1-3-5-17/h1-9,14,18,26H,10-13H2,(H,22,27).
What are the key properties of N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide?
N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-phenyltriazole-4-carboxamide is sourced from PubChem (CID 155952693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).