1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide

C15H21N3O3 — CID 61347794

IUPAC1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-10(19)12-3-2-4-13(9-12)17-15(21)18-7-5-11(6-8-18)14(16)20/h2-4,9-11,19H,5-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyGVFNGNZKQDGBQG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.47
Rot. Bonds3

About 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide

1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 61347794) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
PubChem CID61347794
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-10(19)12-3-2-4-13(9-12)17-15(21)18-7-5-11(6-8-18)14(16)20/h2-4,9-11,19H,5-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyGVFNGNZKQDGBQG-UHFFFAOYSA-N
XLogP1.47
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
1-[[3-(difluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078756
N-[3-(1-hydroxyethyl)phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 62997925
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 61348221
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide (CID 61347794) is 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide is CC(O)c1cccc(NC(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is GVFNGNZKQDGBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)12-3-2-4-13(9-12)17-15(21)18-7-5-11(6-8-18)14(16)20/h2-4,9-11,19H,5-8H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide?
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 61347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).