(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C20H29N3O3 — CID 134698422

IUPAC(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-8-12-23(13-9-15)11-5-10-21-20(25)19-18(22-17(24)14-26-19)16-6-3-2-4-7-16/h2-4,6-7,15,18-19H,5,8-14H2,1H3,(H,21,25)(H,22,24)/t18-,19+/m1/s1
InChIKeySEPDIHBQCJBYQF-MOPGFXCFSA-N
MW359.47 g/mol
LogP1.48
Rot. Bonds6

About (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134698422) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134698422
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-8-12-23(13-9-15)11-5-10-21-20(25)19-18(22-17(24)14-26-19)16-6-3-2-4-7-16/h2-4,6-7,15,18-19H,5,8-14H2,1H3,(H,21,25)(H,22,24)/t18-,19+/m1/s1
InChIKeySEPDIHBQCJBYQF-MOPGFXCFSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134696775
acetic acid;(2S,3R)-N-(4-aminobutyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 154918670
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 162634624
(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134707252
(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713077
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
(2S,3R)-N-[2-methyl-2-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134701114
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
(2R,3R)-N-(4-methylsulfonylphenyl)sulfonyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110166834
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134698422) is (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide is CC1CCN(CCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is SEPDIHBQCJBYQF-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-8-12-23(13-9-15)11-5-10-21-20(25)19-18(22-17(24)14-26-19)16-6-3-2-4-7-16/h2-4,6-7,15,18-19H,5,8-14H2,1H3,(H,21,25)(H,22,24)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134698422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).