(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one

C20H27N3O3 — CID 97433144

IUPAC(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1cccc(/C=C\C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O3/c1-17-3-2-4-18(15-17)5-6-19(24)22-7-9-23(10-8-22)20(25)16-21-11-13-26-14-12-21/h2-6,15H,7-14,16H2,1H3/b6-5-
InChIKeyHKNRQJUNINWTGH-WAYWQWQTSA-N
MW357.45 g/mol
LogP1.01
Rot. Bonds4

About (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one

(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 97433144) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID97433144
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1cccc(/C=C\C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O3/c1-17-3-2-4-18(15-17)5-6-19(24)22-7-9-23(10-8-22)20(25)16-21-11-13-26-14-12-21/h2-6,15H,7-14,16H2,1H3/b6-5-
InChIKeyHKNRQJUNINWTGH-WAYWQWQTSA-N
XLogP1.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 71898426
(E)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one
CID 31362301
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one
CID 9155205
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9022461
1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091920
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
2-[4-[(E)-3-(3-aminophenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 115343530
(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 17480306
3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 90998248
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one (CID 97433144) is (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one is Cc1cccc(/C=C\C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is HKNRQJUNINWTGH-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-17-3-2-4-18(15-17)5-6-19(24)22-7-9-23(10-8-22)20(25)16-21-11-13-26-14-12-21/h2-6,15H,7-14,16H2,1H3/b6-5-.
What are the key properties of (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one?
(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 357.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 97433144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).