1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone

C19H26N2O3 — CID 95714528

IUPAC1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)c1
InChIInChI=1S/C19H26N2O3/c1-14(22)15-4-2-5-16(12-15)19(24)20-10-7-17(8-11-20)21-9-3-6-18(23)13-21/h2,4-5,12,17-18,23H,3,6-11,13H2,1H3/t18-/m1/s1
InChIKeyUUXBLIIORCWGEO-GOSISDBHSA-N
MW330.43 g/mol
LogP1.95
Rot. Bonds3

About 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone

1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 95714528) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
PubChem CID95714528
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)c1
InChIInChI=1S/C19H26N2O3/c1-14(22)15-4-2-5-16(12-15)19(24)20-10-7-17(8-11-20)21-9-3-6-18(23)13-21/h2,4-5,12,17-18,23H,3,6-11,13H2,1H3/t18-/m1/s1
InChIKeyUUXBLIIORCWGEO-GOSISDBHSA-N
XLogP1.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone (CID 95714528) is 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)c1.
What is the InChIKey of 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is UUXBLIIORCWGEO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)15-4-2-5-16(12-15)19(24)20-10-7-17(8-11-20)21-9-3-6-18(23)13-21/h2,4-5,12,17-18,23H,3,6-11,13H2,1H3/t18-/m1/s1.
What are the key properties of 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone?
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 95714528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).