[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H34N2O5 — CID 55507501

IUPAC[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)ccc1OCCC(C)C
InChIInChI=1S/C23H34N2O5/c1-17(2)8-12-30-20-7-6-18(15-21(20)28-3)22(26)25-9-4-5-19(16-25)23(27)24-10-13-29-14-11-24/h6-7,15,17,19H,4-5,8-14,16H2,1-3H3
InChIKeySAWXJFIHMTUUMX-UHFFFAOYSA-N
MW418.53 g/mol
LogP2.83
Rot. Bonds7

About [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55507501) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55507501
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)ccc1OCCC(C)C
InChIInChI=1S/C23H34N2O5/c1-17(2)8-12-30-20-7-6-18(15-21(20)28-3)22(26)25-9-4-5-19(16-25)23(27)24-10-13-29-14-11-24/h6-7,15,17,19H,4-5,8-14,16H2,1-3H3
InChIKeySAWXJFIHMTUUMX-UHFFFAOYSA-N
XLogP2.83
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
cyclopropyl-[4-[3-methoxy-4-(2-methylpropoxy)benzoyl]-1,4-diazepan-1-yl]methanone
CID 136534070
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
azepan-1-yl-[3-bromo-4-(3-methylbutoxy)phenyl]methanone
CID 54793485
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55507501) is [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)ccc1OCCC(C)C.
What is the InChIKey of [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SAWXJFIHMTUUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-17(2)8-12-30-20-7-6-18(15-21(20)28-3)22(26)25-9-4-5-19(16-25)23(27)24-10-13-29-14-11-24/h6-7,15,17,19H,4-5,8-14,16H2,1-3H3.
What are the key properties of [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 418.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55507501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).