4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one

C38H54N6O2 — CID 160866971

IUPAC4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CN(Cc2ccccc2)C2(CCN(C3CCCCC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H29N3O.C18H25N3O/c24-19-16-23(15-17-7-3-1-4-8-17)20(21-19)11-13-22(14-12-20)18-9-5-2-6-10-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,24);1-5,16,19H,6-14H2
InChIKeySLFYJRBDEASFEF-UHFFFAOYSA-N
MW626.89 g/mol
LogP4.56
Rot. Bonds7

About 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one

4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 160866971) has the molecular formula C38H54N6O2 and a molecular weight of 626.89 g/mol. Its IUPAC name is 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID160866971
Molecular FormulaC38H54N6O2
Molecular Weight626.89 g/mol
Exact Mass626.43
IUPAC Name4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CN(Cc2ccccc2)C2(CCN(C3CCCCC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H29N3O.C18H25N3O/c24-19-16-23(15-17-7-3-1-4-8-17)20(21-19)11-13-22(14-12-20)18-9-5-2-6-10-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,24);1-5,16,19H,6-14H2
InChIKeySLFYJRBDEASFEF-UHFFFAOYSA-N
XLogP4.56
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.89
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-(cyclopropylmethyl)-4-[[3-[3-[[8-(cyclopropylmethyl)-2-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]phenyl]phenyl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 135207962
4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 158024649
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 58245510
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
4-benzyl-3-oxo-N-pyridin-3-yl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 72943364
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-benzyl-1'-(4-tert-butylcyclohexyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 11612040
1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70731941
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one (CID 160866971) is 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one is O=C1CN(Cc2ccccc2)C2(CCN(C3CCCCC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is SLFYJRBDEASFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.C18H25N3O/c24-19-16-23(15-17-7-3-1-4-8-17)20(21-19)11-13-22(14-12-20)18-9-5-2-6-10-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,24);1-5,16,19H,6-14H2.
What are the key properties of 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one?
4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 626.89 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 160866971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).