(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide

C18H25N3O3 — CID 29022203

IUPAC(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H](N3CCOCC3)C2)c1
InChIInChI=1S/C18H25N3O3/c1-14(22)15-4-2-5-16(12-15)19-18(23)21-7-3-6-17(13-21)20-8-10-24-11-9-20/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyHUMTYYFJFIUKRI-QGZVFWFLSA-N
MW331.42 g/mol
LogP2.22
Rot. Bonds3

About (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide

(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide (PubChem CID 29022203) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
PubChem CID29022203
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H](N3CCOCC3)C2)c1
InChIInChI=1S/C18H25N3O3/c1-14(22)15-4-2-5-16(12-15)19-18(23)21-7-3-6-17(13-21)20-8-10-24-11-9-20/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyHUMTYYFJFIUKRI-QGZVFWFLSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118779622
N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 154742561
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide (CID 29022203) is (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCC[C@@H](N3CCOCC3)C2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide?
The InChIKey is HUMTYYFJFIUKRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)15-4-2-5-16(12-15)19-18(23)21-7-3-6-17(13-21)20-8-10-24-11-9-20/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide?
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 29022203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).