naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

C27H30N2O — CID 1360777

IUPACnaphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C27H30N2O/c30-27(26-12-6-10-23-9-4-5-11-25(23)26)29-19-17-28(18-20-29)24-15-13-22(14-16-24)21-7-2-1-3-8-21/h1-12,22,24H,13-20H2
InChIKeyGUTAHEWRMFUMOW-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.32
Rot. Bonds3

About naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone (PubChem CID 1360777) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
PubChem CID1360777
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Namenaphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C27H30N2O/c30-27(26-12-6-10-23-9-4-5-11-25(23)26)29-19-17-28(18-20-29)24-15-13-22(14-16-24)21-7-2-1-3-8-21/h1-12,22,24H,13-20H2
InChIKeyGUTAHEWRMFUMOW-UHFFFAOYSA-N
XLogP5.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone (CID 1360777) is naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CCN(C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?
The InChIKey is GUTAHEWRMFUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(26-12-6-10-23-9-4-5-11-25(23)26)29-19-17-28(18-20-29)24-15-13-22(14-16-24)21-7-2-1-3-8-21/h1-12,22,24H,13-20H2.
What are the key properties of naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?
naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1360777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).