2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone

C29H40N4O2 — CID 166751680

IUPAC2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCc1ccc(NC2CCC(Oc3cc(N4CCN(C(=O)CC5CCCC5)CC4)ccn3)CC2)cc1
InChIInChI=1S/C29H40N4O2/c1-22-6-8-24(9-7-22)31-25-10-12-27(13-11-25)35-28-21-26(14-15-30-28)32-16-18-33(19-17-32)29(34)20-23-4-2-3-5-23/h6-9,14-15,21,23,25,27,31H,2-5,10-13,16-20H2,1H3
InChIKeyCRCILHNXHJVOMC-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.42
Rot. Bonds7

About 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 166751680) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID166751680
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Name2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCc1ccc(NC2CCC(Oc3cc(N4CCN(C(=O)CC5CCCC5)CC4)ccn3)CC2)cc1
InChIInChI=1S/C29H40N4O2/c1-22-6-8-24(9-7-22)31-25-10-12-27(13-11-25)35-28-21-26(14-15-30-28)32-16-18-33(19-17-32)29(34)20-23-4-2-3-5-23/h6-9,14-15,21,23,25,27,31H,2-5,10-13,16-20H2,1H3
InChIKeyCRCILHNXHJVOMC-UHFFFAOYSA-N
XLogP5.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-cyclopentyl-1-[4-[2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone
CID 122423614
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118449
2-cyclopentyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349489
2-cyclopentyl-1-[4-[5-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-3-pyridinyl]piperazin-1-yl]ethanone
CID 134166814
4-nitro-3-(trifluoromethyl)-N-[4-[[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2-pyridinyl]oxy]cyclohexyl]aniline
CID 134166812
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118347
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide
CID 118058182
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone (CID 166751680) is 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone is Cc1ccc(NC2CCC(Oc3cc(N4CCN(C(=O)CC5CCCC5)CC4)ccn3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is CRCILHNXHJVOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-22-6-8-24(9-7-22)31-25-10-12-27(13-11-25)35-28-21-26(14-15-30-28)32-16-18-33(19-17-32)29(34)20-23-4-2-3-5-23/h6-9,14-15,21,23,25,27,31H,2-5,10-13,16-20H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 476.67 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[2-[4-(4-methylanilino)cyclohexyl]oxy-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166751680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).