4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

C21H24N6O2 — CID 55697965

IUPAC4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-15-23-24-25-27(15)19-9-5-8-18(14-19)22-21(29)26-12-10-17(11-13-26)20(28)16-6-3-2-4-7-16/h2-9,14,17,20,28H,10-13H2,1H3,(H,22,29)
InChIKeyNQBJERHKOCQXGQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.95
Rot. Bonds4

About 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 55697965) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID55697965
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-15-23-24-25-27(15)19-9-5-8-18(14-19)22-21(29)26-12-10-17(11-13-26)20(28)16-6-3-2-4-7-16/h2-9,14,17,20,28H,10-13H2,1H3,(H,22,29)
InChIKeyNQBJERHKOCQXGQ-UHFFFAOYSA-N
XLogP2.95
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
4-[(R)-hydroxy(phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 30598601
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 47033942
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 136523571
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (CID 55697965) is 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is Cc1nnnn1-c1cccc(NC(=O)N2CCC(C(O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is NQBJERHKOCQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-23-24-25-27(15)19-9-5-8-18(14-19)22-21(29)26-12-10-17(11-13-26)20(28)16-6-3-2-4-7-16/h2-9,14,17,20,28H,10-13H2,1H3,(H,22,29).
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 55697965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).