3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one

C23H25N5O3 — CID 70703025

IUPAC3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H25N5O3/c29-21(18-16-17-6-2-3-7-19(17)31-22(18)30)27-14-12-26(13-15-27)20-8-9-24-23(25-20)28-10-4-1-5-11-28/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyUDBTXFDSHKOEPX-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.54
Rot. Bonds3

About 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one

3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one (PubChem CID 70703025) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
PubChem CID70703025
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H25N5O3/c29-21(18-16-17-6-2-3-7-19(17)31-22(18)30)27-14-12-26(13-15-27)20-8-9-24-23(25-20)28-10-4-1-5-11-28/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyUDBTXFDSHKOEPX-UHFFFAOYSA-N
XLogP2.54
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318
(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343791
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one
CID 19132809
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
3-(4-propanoyl-1,4-diazepane-1-carbonyl)chromen-2-one
CID 110805717
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one?
The IUPAC name of 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one (CID 70703025) is 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one?
The InChIKey is UDBTXFDSHKOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21(18-16-17-6-2-3-7-19(17)31-22(18)30)27-14-12-26(13-15-27)20-8-9-24-23(25-20)28-10-4-1-5-11-28/h2-3,6-9,16H,1,4-5,10-15H2.
What are the key properties of 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one?
3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one has a molecular weight of 419.49 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 70703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).