2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide

C21H30N4O4 — CID 42862621

IUPAC2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN2CCN(C(=O)c3cccc(OC)c3)CC2)C1
InChIInChI=1S/C21H30N4O4/c1-3-7-22-21(27)25-12-13-29-19(16-25)15-23-8-10-24(11-9-23)20(26)17-5-4-6-18(14-17)28-2/h3-6,14,19H,1,7-13,15-16H2,2H3,(H,22,27)
InChIKeyMSRHUXVVOJDDCS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.05
Rot. Bonds6

About 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide

2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 42862621) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID42862621
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN2CCN(C(=O)c3cccc(OC)c3)CC2)C1
InChIInChI=1S/C21H30N4O4/c1-3-7-22-21(27)25-12-13-29-19(16-25)15-23-8-10-24(11-9-23)20(26)17-5-4-6-18(14-17)28-2/h3-6,14,19H,1,7-13,15-16H2,2H3,(H,22,27)
InChIKeyMSRHUXVVOJDDCS-UHFFFAOYSA-N
XLogP1.05
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 46060441
(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
2-[[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862634
(3-methoxyphenyl)-[4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42862438
[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 42862586
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(2R)-2-[[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92989998
(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 92990014

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide (CID 42862621) is 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1CCOC(CN2CCN(C(=O)c3cccc(OC)c3)CC2)C1.
What is the InChIKey of 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is MSRHUXVVOJDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-3-7-22-21(27)25-12-13-29-19(16-25)15-23-8-10-24(11-9-23)20(26)17-5-4-6-18(14-17)28-2/h3-6,14,19H,1,7-13,15-16H2,2H3,(H,22,27).
What are the key properties of 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 42862621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).