1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one

C20H27N3O2 — CID 172887332

IUPAC1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-3-19(24)22-14-12-21(13-15-22)18-6-4-17(5-7-18)20(25)23-10-8-16(2)9-11-23/h3-7,16H,1,8-15H2,2H3
InChIKeyZDYWKMBTWXMZPJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one

1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 172887332) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID172887332
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C20H27N3O2/c1-3-19(24)22-14-12-21(13-15-22)18-6-4-17(5-7-18)20(25)23-10-8-16(2)9-11-23/h3-7,16H,1,8-15H2,2H3
InChIKeyZDYWKMBTWXMZPJ-UHFFFAOYSA-N
XLogP2.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 52724326
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(3aS,7aS)-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124526412
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one (CID 172887332) is 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is ZDYWKMBTWXMZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-19(24)22-14-12-21(13-15-22)18-6-4-17(5-7-18)20(25)23-10-8-16(2)9-11-23/h3-7,16H,1,8-15H2,2H3.
What are the key properties of 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 341.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 172887332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).