1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide

C22H24ClN3O5 — CID 24637988

IUPAC1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H24ClN3O5/c1-30-18-11-15(10-17(23)20(18)31-13-19(24)27)22(29)26-9-5-6-14(12-26)21(28)25-16-7-3-2-4-8-16/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H2,24,27)(H,25,28)
InChIKeyLBQWRFBVEUTYPO-UHFFFAOYSA-N
MW445.90 g/mol
LogP2.70
Rot. Bonds7

About 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide

1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 24637988) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID24637988
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC Name1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H24ClN3O5/c1-30-18-11-15(10-17(23)20(18)31-13-19(24)27)22(29)26-9-5-6-14(12-26)21(28)25-16-7-3-2-4-8-16/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H2,24,27)(H,25,28)
InChIKeyLBQWRFBVEUTYPO-UHFFFAOYSA-N
XLogP2.70
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 42924927
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
(3S)-1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113443
N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692332

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide (CID 24637988) is 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide is COc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is LBQWRFBVEUTYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c1-30-18-11-15(10-17(23)20(18)31-13-19(24)27)22(29)26-9-5-6-14(12-26)21(28)25-16-7-3-2-4-8-16/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide?
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 445.90 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 24637988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).