2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide

C19H29N3O2 — CID 84596388

IUPAC2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
SMILESCCN1CCC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-21-10-8-17(9-11-21)20-19(23)22-12-13-24-18(15-22)14-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,20,23)
InChIKeyXNQSVHPWMCVZCT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.12
Rot. Bonds4

About 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide

2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide (PubChem CID 84596388) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
PubChem CID84596388
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
SMILESCCN1CCC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-21-10-8-17(9-11-21)20-19(23)22-12-13-24-18(15-22)14-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,20,23)
InChIKeyXNQSVHPWMCVZCT-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 127750561
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide (CID 84596388) is 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide is CCN1CCC(NC(=O)N2CCOC(Cc3ccccc3)C2)CC1.
What is the InChIKey of 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide?
The InChIKey is XNQSVHPWMCVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-21-10-8-17(9-11-21)20-19(23)22-12-13-24-18(15-22)14-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,20,23).
What are the key properties of 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide?
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 84596388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).