N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide

C24H28ClN3O5 — CID 55692332

IUPACN-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C24H28ClN3O5/c1-32-20-14-17(13-19(25)23(20)33-15-21(26)29)24(31)28-11-9-18(10-12-28)27-22(30)8-7-16-5-3-2-4-6-16/h2-6,13-14,18H,7-12,15H2,1H3,(H2,26,29)(H,27,30)
InChIKeyVNNSFPIPMLEHCM-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.57
Rot. Bonds9

About N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692332) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692332
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC NameN-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C24H28ClN3O5/c1-32-20-14-17(13-19(25)23(20)33-15-21(26)29)24(31)28-11-9-18(10-12-28)27-22(30)8-7-16-5-3-2-4-6-16/h2-6,13-14,18H,7-12,15H2,1H3,(H2,26,29)(H,27,30)
InChIKeyVNNSFPIPMLEHCM-UHFFFAOYSA-N
XLogP2.57
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637988
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
CID 119125753
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide (CID 55692332) is N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide is COc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is VNNSFPIPMLEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-32-20-14-17(13-19(25)23(20)33-15-21(26)29)24(31)28-11-9-18(10-12-28)27-22(30)8-7-16-5-3-2-4-6-16/h2-6,13-14,18H,7-12,15H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 473.96 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).