2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone

C21H30N2O4 — CID 72838121

IUPAC2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N2O4/c1-26-16-20(24)23-11-5-8-18(14-23)21(25)22-12-9-19(10-13-22)27-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyOPPAOSFTGYSXQO-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.08
Rot. Bonds6

About 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone

2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 72838121) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID72838121
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N2O4/c1-26-16-20(24)23-11-5-8-18(14-23)21(25)22-12-9-19(10-13-22)27-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyOPPAOSFTGYSXQO-UHFFFAOYSA-N
XLogP2.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 72838121) is 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone is COCC(=O)N1CCCC(C(=O)N2CCC(OCc3ccccc3)CC2)C1.
What is the InChIKey of 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is OPPAOSFTGYSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-16-20(24)23-11-5-8-18(14-23)21(25)22-12-9-19(10-13-22)27-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3.
What are the key properties of 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(4-phenylmethoxypiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72838121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).