1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone

C25H30N2O2 — CID 42347424

IUPAC1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H30N2O2/c1-19(28)26-16-13-24(14-17-26)27-15-5-8-23(18-27)25(29)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-4,6-7,9-12,23-24H,5,8,13-18H2,1H3/t23-/m1/s1
InChIKeyDZTXCZLYFGBOAR-HSZRJFAPSA-N
MW390.53 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 42347424) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID42347424
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H30N2O2/c1-19(28)26-16-13-24(14-17-26)27-15-5-8-23(18-27)25(29)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-4,6-7,9-12,23-24H,5,8,13-18H2,1H3/t23-/m1/s1
InChIKeyDZTXCZLYFGBOAR-HSZRJFAPSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383194
(3S)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383197
1-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]but-2-yn-1-one
CID 25485299
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 42347424) is 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is DZTXCZLYFGBOAR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-19(28)26-16-13-24(14-17-26)27-15-5-8-23(18-27)25(29)22-11-9-21(10-12-22)20-6-3-2-4-7-20/h2-4,6-7,9-12,23-24H,5,8,13-18H2,1H3/t23-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 390.53 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 42347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).