1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

C20H28N2O3 — CID 146087913

IUPAC1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCC(CO)(c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O3/c1-16(24)22-11-5-6-17(14-22)19(25)21-12-9-20(15-23,10-13-21)18-7-3-2-4-8-18/h2-4,7-8,17,23H,5-6,9-15H2,1H3
InChIKeyPKEPBUJOWDSRNU-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.80
Rot. Bonds3

About 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 146087913) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID146087913
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCC(CO)(c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O3/c1-16(24)22-11-5-6-17(14-22)19(25)21-12-9-20(15-23,10-13-21)18-7-3-2-4-8-18/h2-4,7-8,17,23H,5-6,9-15H2,1H3
InChIKeyPKEPBUJOWDSRNU-UHFFFAOYSA-N
XLogP1.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
1-[(3S)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041257
1-[(3R)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041261
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 146087913) is 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCC(CO)(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PKEPBUJOWDSRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16(24)22-11-5-6-17(14-22)19(25)21-12-9-20(15-23,10-13-21)18-7-3-2-4-8-18/h2-4,7-8,17,23H,5-6,9-15H2,1H3.
What are the key properties of 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146087913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).