[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C25H32N2O2 — CID 45195996

IUPAC[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCN1CCC(N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H32N2O2/c1-2-26-17-14-22(15-18-26)27-16-6-7-21(19-27)25(28)20-10-12-24(13-11-20)29-23-8-4-3-5-9-23/h3-5,8-13,21-22H,2,6-7,14-19H2,1H3
InChIKeyIECXDKITLCGBEI-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.86
Rot. Bonds6

About [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 45195996) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID45195996
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCCN1CCC(N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H32N2O2/c1-2-26-17-14-22(15-18-26)27-16-6-7-21(19-27)25(28)20-10-12-24(13-11-20)29-23-8-4-3-5-9-23/h3-5,8-13,21-22H,2,6-7,14-19H2,1H3
InChIKeyIECXDKITLCGBEI-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 56868361
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 45195996) is [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is CCN1CCC(N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1.
What is the InChIKey of [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is IECXDKITLCGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-26-17-14-22(15-18-26)27-16-6-7-21(19-27)25(28)20-10-12-24(13-11-20)29-23-8-4-3-5-9-23/h3-5,8-13,21-22H,2,6-7,14-19H2,1H3.
What are the key properties of [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 392.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 45195996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).