[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate

C34H38Cl2N2O4 — CID 67740698

IUPAC[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3
InChIKeyBUGYHRHIWFBNRX-UHFFFAOYSA-N
MW609.59 g/mol
LogP7.23
Rot. Bonds9

About [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate

[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate (PubChem CID 67740698) has the molecular formula C34H38Cl2N2O4 and a molecular weight of 609.59 g/mol. Its IUPAC name is [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
PubChem CID67740698
Molecular FormulaC34H38Cl2N2O4
Molecular Weight609.59 g/mol
Exact Mass608.22
IUPAC Name[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3
InChIKeyBUGYHRHIWFBNRX-UHFFFAOYSA-N
XLogP7.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.59
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126447935
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 122571890
(3-propoxypiperidin-1-yl)-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 122558431
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
[(3S)-3-propoxypiperidin-1-yl]-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
CID 125440514
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[3-(3,4-dichlorophenyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 21300148
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate (CID 67740698) is [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1.
What is the InChIKey of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is BUGYHRHIWFBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3.
What are the key properties of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 609.59 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 67740698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).