(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

C20H30N4O — CID 56805294

IUPAC(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCCCN1CCC(N2CCN(C(=O)/C=C/c3cccnc3)CC2)CC1
InChIInChI=1S/C20H30N4O/c1-2-10-22-11-7-19(8-12-22)23-13-15-24(16-14-23)20(25)6-5-18-4-3-9-21-17-18/h3-6,9,17,19H,2,7-8,10-16H2,1H3/b6-5+
InChIKeyIZMCEGPLXBMRKJ-AATRIKPKSA-N
MW342.49 g/mol
LogP2.11
Rot. Bonds5

About (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 56805294) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
PubChem CID56805294
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCCCN1CCC(N2CCN(C(=O)/C=C/c3cccnc3)CC2)CC1
InChIInChI=1S/C20H30N4O/c1-2-10-22-11-7-19(8-12-22)23-13-15-24(16-14-23)20(25)6-5-18-4-3-9-21-17-18/h3-6,9,17,19H,2,7-8,10-16H2,1H3/b6-5+
InChIKeyIZMCEGPLXBMRKJ-AATRIKPKSA-N
XLogP2.11
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 75407811
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
(E)-3-(3-aminophenyl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 115342682
(E)-3-[4-(hydroxyamino)phenyl]-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 89134605
(E)-1-(3-benzylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 75407724
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 71998340
pyridin-3-yl 3-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]propanoate
CID 70476238
(E)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 55064849

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (CID 56805294) is (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is CCCN1CCC(N2CCN(C(=O)/C=C/c3cccnc3)CC2)CC1.
What is the InChIKey of (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is IZMCEGPLXBMRKJ-AATRIKPKSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-10-22-11-7-19(8-12-22)23-13-15-24(16-14-23)20(25)6-5-18-4-3-9-21-17-18/h3-6,9,17,19H,2,7-8,10-16H2,1H3/b6-5+.
What are the key properties of (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 342.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 56805294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).