[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one

C47H70N4O4 — CID 67656374

IUPAC[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1.COc1ccc2c(c1)C(N1CCN(C(=O)C3(C)CCCCC3)CC1)CC2
InChIInChI=1S/C25H38N2O2.C22H32N2O2/c1-3-4-5-6-7-8-9-10-11-25(28)27-18-16-26(17-19-27)24-15-13-21-12-14-22(29-2)20-23(21)24;1-22(10-4-3-5-11-22)21(25)24-14-12-23(13-15-24)20-9-7-17-6-8-18(26-2)16-19(17)20/h3,12,14,20,24H,1,4-11,13,15-19H2,2H3;6,8,16,20H,3-5,7,9-15H2,1-2H3
InChIKeyRJIZLJXRKLFUFY-UHFFFAOYSA-N
MW755.10 g/mol
LogP8.93
Rot. Bonds14

About [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one

[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one (PubChem CID 67656374) has the molecular formula C47H70N4O4 and a molecular weight of 755.10 g/mol. Its IUPAC name is [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one.

Molecular Properties

Compound Name[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one
PubChem CID67656374
Molecular FormulaC47H70N4O4
Molecular Weight755.10 g/mol
Exact Mass754.54
IUPAC Name[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1.COc1ccc2c(c1)C(N1CCN(C(=O)C3(C)CCCCC3)CC1)CC2
InChIInChI=1S/C25H38N2O2.C22H32N2O2/c1-3-4-5-6-7-8-9-10-11-25(28)27-18-16-26(17-19-27)24-15-13-21-12-14-22(29-2)20-23(21)24;1-22(10-4-3-5-11-22)21(25)24-14-12-23(13-15-24)20-9-7-17-6-8-18(26-2)16-19(17)20/h3,12,14,20,24H,1,4-11,13,15-19H2,2H3;6,8,16,20H,3-5,7,9-15H2,1-2H3
InChIKeyRJIZLJXRKLFUFY-UHFFFAOYSA-N
XLogP8.93
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.10
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one with MolForge

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Related Compounds

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
furan-3-yl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
CID 22375412
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110399850
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110399849
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
1-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]piperidine
CID 24771108
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
1-[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316047
3-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylic acid
CID 19794098

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one?
The IUPAC name of [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one (CID 67656374) is [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one.
What is the SMILES notation for [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one?
The canonical SMILES for [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one is C=CCCCCCCCCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1.COc1ccc2c(c1)C(N1CCN(C(=O)C3(C)CCCCC3)CC1)CC2.
What is the InChIKey of [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one?
The InChIKey is RJIZLJXRKLFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2.C22H32N2O2/c1-3-4-5-6-7-8-9-10-11-25(28)27-18-16-26(17-19-27)24-15-13-21-12-14-22(29-2)20-23(21)24;1-22(10-4-3-5-11-22)21(25)24-14-12-23(13-15-24)20-9-7-17-6-8-18(26-2)16-19(17)20/h3,12,14,20,24H,1,4-11,13,15-19H2,2H3;6,8,16,20H,3-5,7,9-15H2,1-2H3.
What are the key properties of [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one?
[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one has a molecular weight of 755.10 g/mol, XLogP of 8.93, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]undec-10-en-1-one is sourced from PubChem (CID 67656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).