N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

C19H27N3O3 — CID 124622105

IUPACN-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)21(2)17-6-3-5-16(13-17)20-19(24)22-10-8-15(9-11-22)18-7-4-12-25-18/h3,5-6,13,15,18H,4,7-12H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyRGNNSFHVKXSVPQ-GOSISDBHSA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds3

About N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 124622105) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID124622105
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)21(2)17-6-3-5-16(13-17)20-19(24)22-10-8-15(9-11-22)18-7-4-12-25-18/h3,5-6,13,15,18H,4,7-12H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyRGNNSFHVKXSVPQ-GOSISDBHSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
CID 71846805
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99830523
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 99832022
N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
CID 125141651
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
CID 166180121
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (CID 124622105) is N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is CC(=O)N(C)c1cccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is RGNNSFHVKXSVPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)21(2)17-6-3-5-16(13-17)20-19(24)22-10-8-15(9-11-22)18-7-4-12-25-18/h3,5-6,13,15,18H,4,7-12H2,1-2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124622105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).