3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one

C26H27N3O3 — CID 161388153

IUPAC3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(C4=Cc5ccccc5CC4=O)cc3)CC2)CCC1
InChIInChI=1S/C26H27N3O3/c27-26(10-3-11-26)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)22-16-20-4-1-2-5-21(20)17-23(22)30/h1-2,4-9,16H,3,10-15,17,27H2
InChIKeyVSPXMANVNYGEIG-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.52
Rot. Bonds3

About 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one

3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one (PubChem CID 161388153) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
PubChem CID161388153
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(C4=Cc5ccccc5CC4=O)cc3)CC2)CCC1
InChIInChI=1S/C26H27N3O3/c27-26(10-3-11-26)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)22-16-20-4-1-2-5-21(20)17-23(22)30/h1-2,4-9,16H,3,10-15,17,27H2
InChIKeyVSPXMANVNYGEIG-UHFFFAOYSA-N
XLogP2.52
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119302744
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone
CID 162300450
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
CID 139452161
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
CID 119278586
1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one?
The IUPAC name of 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one (CID 161388153) is 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one.
What is the SMILES notation for 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one?
The canonical SMILES for 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one is NC1(C(=O)N2CCN(C(=O)c3ccc(C4=Cc5ccccc5CC4=O)cc3)CC2)CCC1.
What is the InChIKey of 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one?
The InChIKey is VSPXMANVNYGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-26(10-3-11-26)25(32)29-14-12-28(13-15-29)24(31)19-8-6-18(7-9-19)22-16-20-4-1-2-5-21(20)17-23(22)30/h1-2,4-9,16H,3,10-15,17,27H2.
What are the key properties of 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one?
3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one has a molecular weight of 429.52 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one is sourced from PubChem (CID 161388153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).