1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone

C27H34N2O3 — CID 58347929

IUPAC1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(c1ccc(OCCC2CCCCC2)cc1)C1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C27H34N2O3/c30-26(19-22-7-4-15-28-20-22)29-16-12-24(13-17-29)27(31)23-8-10-25(11-9-23)32-18-14-21-5-2-1-3-6-21/h4,7-11,15,20-21,24H,1-3,5-6,12-14,16-19H2
InChIKeyJTVMIBKOMHJVSQ-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.09
Rot. Bonds8

About 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 58347929) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID58347929
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(c1ccc(OCCC2CCCCC2)cc1)C1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C27H34N2O3/c30-26(19-22-7-4-15-28-20-22)29-16-12-24(13-17-29)27(31)23-8-10-25(11-9-23)32-18-14-21-5-2-1-3-6-21/h4,7-11,15,20-21,24H,1-3,5-6,12-14,16-19H2
InChIKeyJTVMIBKOMHJVSQ-UHFFFAOYSA-N
XLogP5.09
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 30854834
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
1-[4-[5-(cyclohexylmethoxy)pyridine-3-carbonyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123471923
1-[4-(4-pentoxybenzoyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347771
1-[4-[3-(cyclohexylmethoxy)-4-methylbenzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123874540
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 58347929) is 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(c1ccc(OCCC2CCCCC2)cc1)C1CCN(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is JTVMIBKOMHJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c30-26(19-22-7-4-15-28-20-22)29-16-12-24(13-17-29)27(31)23-8-10-25(11-9-23)32-18-14-21-5-2-1-3-6-21/h4,7-11,15,20-21,24H,1-3,5-6,12-14,16-19H2.
What are the key properties of 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 434.58 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 58347929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).