1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

C21H30N2O4 — CID 139006517

IUPAC1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCC1(O)CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-21(26)10-13-22(14-11-21)20(25)17-6-5-12-23(16-17)19(24)9-15-27-18-7-3-2-4-8-18/h2-4,7-8,17,26H,5-6,9-16H2,1H3
InChIKeySQGANWPZDIBSSV-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.07
Rot. Bonds5

About 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 139006517) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID139006517
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCC1(O)CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-21(26)10-13-22(14-11-21)20(25)17-6-5-12-23(16-17)19(24)9-15-27-18-7-3-2-4-8-18/h2-4,7-8,17,26H,5-6,9-16H2,1H3
InChIKeySQGANWPZDIBSSV-UHFFFAOYSA-N
XLogP2.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one with MolForge

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Related Compounds

1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120528073
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55967026
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 139006517) is 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is CC1(O)CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1.
What is the InChIKey of 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is SQGANWPZDIBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(26)10-13-22(14-11-21)20(25)17-6-5-12-23(16-17)19(24)9-15-27-18-7-3-2-4-8-18/h2-4,7-8,17,26H,5-6,9-16H2,1H3.
What are the key properties of 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 374.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 139006517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).