2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide

C21H29N3O3 — CID 134051348

IUPAC2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-2-10-24(19-8-4-3-5-9-19)20(25)17-22-11-6-7-18(16-22)21(26)23-12-14-27-15-13-23/h2-5,8-9,18H,1,6-7,10-17H2
InChIKeyHZCIMIUFAGOIOF-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.78
Rot. Bonds6

About 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide

2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 134051348) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
PubChem CID134051348
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-2-10-24(19-8-4-3-5-9-19)20(25)17-22-11-6-7-18(16-22)21(26)23-12-14-27-15-13-23/h2-5,8-9,18H,1,6-7,10-17H2
InChIKeyHZCIMIUFAGOIOF-UHFFFAOYSA-N
XLogP1.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
N-(2-ethylphenyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55501528
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051350
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide (CID 134051348) is 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CN1CCCC(C(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is HZCIMIUFAGOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-10-24(19-8-4-3-5-9-19)20(25)17-22-11-6-7-18(16-22)21(26)23-12-14-27-15-13-23/h2-5,8-9,18H,1,6-7,10-17H2.
What are the key properties of 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 371.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 134051348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).