ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate

C20H28ClN3O3 — CID 46873655

IUPACethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVSYRZNVEBYAZBF-OAHLLOKOSA-N
MW393.92 g/mol
LogP3.16
Rot. Bonds4

About ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 46873655) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID46873655
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Nameethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVSYRZNVEBYAZBF-OAHLLOKOSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate (CID 46873655) is ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is VSYRZNVEBYAZBF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 393.92 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46873655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).