(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone

C24H24N2O — CID 90566745

IUPAC(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(22-12-6-10-18-7-4-5-11-21(18)22)26-16-15-25(20-13-14-20)17-23(26)19-8-2-1-3-9-19/h1-12,20,23H,13-17H2
InChIKeyXUGFCQMQYXMSCT-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.50
Rot. Bonds3

About (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone

(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 90566745) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
PubChem CID90566745
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(22-12-6-10-18-7-4-5-11-21(18)22)26-16-15-25(20-13-14-20)17-23(26)19-8-2-1-3-9-19/h1-12,20,23H,13-17H2
InChIKeyXUGFCQMQYXMSCT-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
CID 1360777
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90566827
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
1,3-benzothiazol-2-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566831
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
2,1,3-benzothiadiazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566856
3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566646
2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
CID 90566753
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone (CID 90566745) is (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is XUGFCQMQYXMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(22-12-6-10-18-7-4-5-11-21(18)22)26-16-15-25(20-13-14-20)17-23(26)19-8-2-1-3-9-19/h1-12,20,23H,13-17H2.
What are the key properties of (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone?
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 90566745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).