8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C23H35ClN2O — CID 45265820

IUPAC8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCCCC1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2.Cl
InChIInChI=1S/C23H34N2O.ClH/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19;/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26);1H
InChIKeyPDZBCTKMGZGENP-UHFFFAOYSA-N
MW391.00 g/mol
LogP4.90
Rot. Bonds4

About 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45265820) has the molecular formula C23H35ClN2O and a molecular weight of 391.00 g/mol. Its IUPAC name is 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45265820
Molecular FormulaC23H35ClN2O
Molecular Weight391.00 g/mol
Exact Mass390.24
IUPAC Name8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCCCC1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2.Cl
InChIInChI=1S/C23H34N2O.ClH/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19;/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26);1H
InChIKeyPDZBCTKMGZGENP-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.00
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45265820) is 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is CCCC1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2.Cl.
What is the InChIKey of 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is PDZBCTKMGZGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O.ClH/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19;/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26);1H.
What are the key properties of 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 391.00 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45265820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).