methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate

C22H24Cl2N2O3 — CID 143008673

IUPACmethyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCN(c2cccc(-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c1-14(22(28)29-2)25-21(27)15-9-11-26(12-10-15)17-6-3-5-16(13-17)18-7-4-8-19(23)20(18)24/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyCSBMBRSCZHYCNQ-AWEZNQCLSA-N
MW435.35 g/mol
LogP4.55
Rot. Bonds5

About methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate

methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate (PubChem CID 143008673) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate
PubChem CID143008673
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Namemethyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCN(c2cccc(-c3cccc(Cl)c3Cl)c2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c1-14(22(28)29-2)25-21(27)15-9-11-26(12-10-15)17-6-3-5-16(13-17)18-7-4-8-19(23)20(18)24/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyCSBMBRSCZHYCNQ-AWEZNQCLSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
[(3R,4R)-4-[4-(3-chlorophenyl)piperazin-1-yl]-1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl] 4-phenylbenzoate
CID 45138915
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
methyl 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]propanoate
CID 142170407

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate (CID 143008673) is methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)C1CCN(c2cccc(-c3cccc(Cl)c3Cl)c2)CC1.
What is the InChIKey of methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate?
The InChIKey is CSBMBRSCZHYCNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-14(22(28)29-2)25-21(27)15-9-11-26(12-10-15)17-6-3-5-16(13-17)18-7-4-8-19(23)20(18)24/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)/t14-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate?
methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate has a molecular weight of 435.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-[3-(2,3-dichlorophenyl)phenyl]piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 143008673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).