N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide

C18H27N3O3 — CID 71931011

IUPACN-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(N(C)CCCO)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-14(23)15-5-3-6-16(13-15)19-18(24)21-10-7-17(8-11-21)20(2)9-4-12-22/h3,5-6,13,17,22H,4,7-12H2,1-2H3,(H,19,24)
InChIKeyXIZSYFOAZBPOCC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.20
Rot. Bonds6

About N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide

N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide (PubChem CID 71931011) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
PubChem CID71931011
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(N(C)CCCO)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-14(23)15-5-3-6-16(13-15)19-18(24)21-10-7-17(8-11-21)20(2)9-4-12-22/h3,5-6,13,17,22H,4,7-12H2,1-2H3,(H,19,24)
InChIKeyXIZSYFOAZBPOCC-UHFFFAOYSA-N
XLogP2.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 111446778
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide (CID 71931011) is N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCC(N(C)CCCO)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide?
The InChIKey is XIZSYFOAZBPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(23)15-5-3-6-16(13-15)19-18(24)21-10-7-17(8-11-21)20(2)9-4-12-22/h3,5-6,13,17,22H,4,7-12H2,1-2H3,(H,19,24).
What are the key properties of N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide?
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 71931011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).