1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide

C17H25N3O3 — CID 138029837

IUPAC1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide
SMILESCCC(C)c1cccc(NC(=O)N2CCC(O)(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-3-12(2)13-5-4-6-14(11-13)19-16(22)20-9-7-17(23,8-10-20)15(18)21/h4-6,11-12,23H,3,7-10H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeySDUADKMKTLEBET-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.04
Rot. Bonds4

About 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide

1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide (PubChem CID 138029837) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide
PubChem CID138029837
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide
SMILESCCC(C)c1cccc(NC(=O)N2CCC(O)(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-3-12(2)13-5-4-6-14(11-13)19-16(22)20-9-7-17(23,8-10-20)15(18)21/h4-6,11-12,23H,3,7-10H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeySDUADKMKTLEBET-UHFFFAOYSA-N
XLogP2.04
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide
CID 136555130
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
CID 61347794
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide (CID 138029837) is 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide is CCC(C)c1cccc(NC(=O)N2CCC(O)(C(N)=O)CC2)c1.
What is the InChIKey of 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide?
The InChIKey is SDUADKMKTLEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-12(2)13-5-4-6-14(11-13)19-16(22)20-9-7-17(23,8-10-20)15(18)21/h4-6,11-12,23H,3,7-10H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide?
1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide is sourced from PubChem (CID 138029837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).