ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate

C18H25ClN2O4 — CID 87012554

IUPACethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O4/c1-3-25-18(23)13-6-8-21(9-7-13)12-17(22)20-11-14-10-15(19)4-5-16(14)24-2/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyPPMDLNKGWWGKPN-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.24
Rot. Bonds7

About ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 87012554) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID87012554
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Nameethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O4/c1-3-25-18(23)13-6-8-21(9-7-13)12-17(22)20-11-14-10-15(19)4-5-16(14)24-2/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyPPMDLNKGWWGKPN-UHFFFAOYSA-N
XLogP2.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 32817292
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
ethyl 1-[N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111983799
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 31001529

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate (CID 87012554) is ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NCc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is PPMDLNKGWWGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-3-25-18(23)13-6-8-21(9-7-13)12-17(22)20-11-14-10-15(19)4-5-16(14)24-2/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 87012554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).