1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide

C23H33N3O5 — CID 43064079

IUPAC1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(C(=O)N2CCC(C(=O)NC)CC2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H33N3O5/c1-3-30-20-15-18(23(29)26-13-9-17(10-14-26)22(28)24-2)7-8-19(20)31-16-21(27)25-11-5-4-6-12-25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,24,28)
InChIKeyWLGZSWOJGCKXSQ-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.07
Rot. Bonds7

About 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide

1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 43064079) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
PubChem CID43064079
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(C(=O)N2CCC(C(=O)NC)CC2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H33N3O5/c1-3-30-20-15-18(23(29)26-13-9-17(10-14-26)22(28)24-2)7-8-19(20)31-16-21(27)25-11-5-4-6-12-25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,24,28)
InChIKeyWLGZSWOJGCKXSQ-UHFFFAOYSA-N
XLogP2.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[2-ethoxy-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 55662113
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 119483987
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
2-[2-ethoxy-4-[3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 75387010

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide (CID 43064079) is 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide is CCOc1cc(C(=O)N2CCC(C(=O)NC)CC2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is WLGZSWOJGCKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-3-30-20-15-18(23(29)26-13-9-17(10-14-26)22(28)24-2)7-8-19(20)31-16-21(27)25-11-5-4-6-12-25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,24,28).
What are the key properties of 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide?
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43064079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).