1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide

C20H27N3O6 — CID 4850069

IUPAC1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O6/c1-27-17-12-15(20(26)23-6-4-14(5-7-23)19(21)25)2-3-16(17)29-13-18(24)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H2,21,25)
InChIKeyIPWBIDWVFIZMFF-UHFFFAOYSA-N
MW405.45 g/mol
LogP0.27
Rot. Bonds6

About 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide

1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide (PubChem CID 4850069) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
PubChem CID4850069
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O6/c1-27-17-12-15(20(26)23-6-4-14(5-7-23)19(21)25)2-3-16(17)29-13-18(24)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H2,21,25)
InChIKeyIPWBIDWVFIZMFF-UHFFFAOYSA-N
XLogP0.27
TPSA111.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
2-[2-methoxy-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenoxy]-1-morpholin-4-ylethanone
CID 25162377
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 108533479
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide (CID 4850069) is 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide?
The InChIKey is IPWBIDWVFIZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6/c1-27-17-12-15(20(26)23-6-4-14(5-7-23)19(21)25)2-3-16(17)29-13-18(24)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H2,21,25).
What are the key properties of 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide?
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 4850069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).