(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide

C21H32N2O3 — CID 120639699

IUPAC(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-15-14-18(8-11-22-15)21(24)23-16(2)20(17-6-4-3-5-7-17)26-19-9-12-25-13-10-19/h3-7,15-16,18-20,22H,8-14H2,1-2H3,(H,23,24)/t15-,16?,18-,20?/m0/s1
InChIKeyLEUKYZNSARIELQ-BPOAAREJSA-N
MW360.50 g/mol
LogP2.82
Rot. Bonds6

About (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide (PubChem CID 120639699) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
PubChem CID120639699
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-15-14-18(8-11-22-15)21(24)23-16(2)20(17-6-4-3-5-7-17)26-19-9-12-25-13-10-19/h3-7,15-16,18-20,22H,8-14H2,1-2H3,(H,23,24)/t15-,16?,18-,20?/m0/s1
InChIKeyLEUKYZNSARIELQ-BPOAAREJSA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 129398410
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
3-[methyl-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]carbamoyl]amino]propanoic acid
CID 122007367
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide (CID 120639699) is (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
The InChIKey is LEUKYZNSARIELQ-BPOAAREJSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15-14-18(8-11-22-15)21(24)23-16(2)20(17-6-4-3-5-7-17)26-19-9-12-25-13-10-19/h3-7,15-16,18-20,22H,8-14H2,1-2H3,(H,23,24)/t15-,16?,18-,20?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).