3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C25H28N4O2 — CID 90566827

IUPAC3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H28N4O2/c1-3-27-15-21(23(30)20-12-9-17(2)26-24(20)27)25(31)29-14-13-28(19-10-11-19)16-22(29)18-7-5-4-6-8-18/h4-9,12,15,19,22H,3,10-11,13-14,16H2,1-2H3
InChIKeyBMHIZBUXWPKKSM-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.39
Rot. Bonds4

About 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 90566827) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID90566827
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H28N4O2/c1-3-27-15-21(23(30)20-12-9-17(2)26-24(20)27)25(31)29-14-13-28(19-10-11-19)16-22(29)18-7-5-4-6-8-18/h4-9,12,15,19,22H,3,10-11,13-14,16H2,1-2H3
InChIKeyBMHIZBUXWPKKSM-UHFFFAOYSA-N
XLogP3.39
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 90566827) is 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is BMHIZBUXWPKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-27-15-21(23(30)20-12-9-17(2)26-24(20)27)25(31)29-14-13-28(19-10-11-19)16-22(29)18-7-5-4-6-8-18/h4-9,12,15,19,22H,3,10-11,13-14,16H2,1-2H3.
What are the key properties of 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 416.53 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 90566827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).