N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide

C15H19N3O3 — CID 63626426

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCN(CC#N)CC2)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-2-3-14(19)13(10-12)15(20)17-11-4-7-18(8-5-11)9-6-16/h2-3,10-11,19H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyGMQSOGWLJLMABA-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.12
Rot. Bonds4

About N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide

N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide (PubChem CID 63626426) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
PubChem CID63626426
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCN(CC#N)CC2)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-2-3-14(19)13(10-12)15(20)17-11-4-7-18(8-5-11)9-6-16/h2-3,10-11,19H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyGMQSOGWLJLMABA-UHFFFAOYSA-N
XLogP1.12
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
N-[1-(cyanomethyl)piperidin-4-yl]-3,4-dihydroxybenzamide
CID 103956985
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide (CID 63626426) is N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC2CCN(CC#N)CC2)c1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is GMQSOGWLJLMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-2-3-14(19)13(10-12)15(20)17-11-4-7-18(8-5-11)9-6-16/h2-3,10-11,19H,4-5,7-9H2,1H3,(H,17,20).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 289.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 63626426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).