4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one

C17H23N3O3 — CID 166276194

IUPAC4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one
SMILESCOC1(CN)CC(C(=O)N2CCNC(=O)C2c2ccccc2)C1
InChIInChI=1S/C17H23N3O3/c1-23-17(11-18)9-13(10-17)16(22)20-8-7-19-15(21)14(20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,18H2,1H3,(H,19,21)
InChIKeyUTZXCRMTPAQHLS-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.44
Rot. Bonds4

About 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one

4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one (PubChem CID 166276194) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one
PubChem CID166276194
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one
SMILESCOC1(CN)CC(C(=O)N2CCNC(=O)C2c2ccccc2)C1
InChIInChI=1S/C17H23N3O3/c1-23-17(11-18)9-13(10-17)16(22)20-8-7-19-15(21)14(20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,18H2,1H3,(H,19,21)
InChIKeyUTZXCRMTPAQHLS-UHFFFAOYSA-N
XLogP0.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one (CID 166276194) is 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one is COC1(CN)CC(C(=O)N2CCNC(=O)C2c2ccccc2)C1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one?
The InChIKey is UTZXCRMTPAQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-17(11-18)9-13(10-17)16(22)20-8-7-19-15(21)14(20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,18H2,1H3,(H,19,21).
What are the key properties of 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one?
4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 166276194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).