N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide

C21H31N3O3 — CID 45219447

IUPACN,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-22(2)21(26)23-12-10-18(11-13-23)20(25)24-14-15-27-19(16-24)9-8-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3
InChIKeyRIXPLYZVHGOFSY-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.24
Rot. Bonds4

About N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide (PubChem CID 45219447) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
PubChem CID45219447
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-22(2)21(26)23-12-10-18(11-13-23)20(25)24-14-15-27-19(16-24)9-8-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3
InChIKeyRIXPLYZVHGOFSY-UHFFFAOYSA-N
XLogP2.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 110740938
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25274863
[3-(dimethylamino)phenyl]-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 45193768
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide (CID 45219447) is N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The InChIKey is RIXPLYZVHGOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-22(2)21(26)23-12-10-18(11-13-23)20(25)24-14-15-27-19(16-24)9-8-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 45219447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).