N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide

C20H24N4O5 — CID 166403525

IUPACN-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-2-17(25)21-16-5-3-15(4-6-16)18(26)22-7-9-23(10-8-22)19(27)20(28)24-11-13-29-14-12-24/h2-6H,1,7-14H2,(H,21,25)
InChIKeyWCCSUAAPTBXTOM-UHFFFAOYSA-N
MW400.44 g/mol
LogP-0.05
Rot. Bonds3

About N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166403525) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166403525
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-2-17(25)21-16-5-3-15(4-6-16)18(26)22-7-9-23(10-8-22)19(27)20(28)24-11-13-29-14-12-24/h2-6H,1,7-14H2,(H,21,25)
InChIKeyWCCSUAAPTBXTOM-UHFFFAOYSA-N
XLogP-0.05
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
N-[4-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166409111
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166419511
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
N-[4-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314247
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 1223934
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194643
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide (CID 166403525) is N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is WCCSUAAPTBXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-2-17(25)21-16-5-3-15(4-6-16)18(26)22-7-9-23(10-8-22)19(27)20(28)24-11-13-29-14-12-24/h2-6H,1,7-14H2,(H,21,25).
What are the key properties of N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 400.44 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166403525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).