[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C18H21ClN2O4 — CID 8642134

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O4/c19-13-6-4-12(5-7-13)18(8-9-18)17(24)25-11-15(22)21-10-2-1-3-14(21)16(20)23/h4-7,14H,1-3,8-11H2,(H2,20,23)/t14-/m1/s1
InChIKeySYHRZOCRUKBKJN-CQSZACIVSA-N
MW364.83 g/mol
LogP1.78
Rot. Bonds5

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 8642134) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID8642134
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O4/c19-13-6-4-12(5-7-13)18(8-9-18)17(24)25-11-15(22)21-10-2-1-3-14(21)16(20)23/h4-7,14H,1-3,8-11H2,(H2,20,23)/t14-/m1/s1
InChIKeySYHRZOCRUKBKJN-CQSZACIVSA-N
XLogP1.78
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 9081155
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642237
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 46213521
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589310
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclohexane-1-carboxylate
CID 46213642
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (5S,7S)-3-chloroadamantane-1-carboxylate
CID 23351981

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 8642134) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is SYHRZOCRUKBKJN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c19-13-6-4-12(5-7-13)18(8-9-18)17(24)25-11-15(22)21-10-2-1-3-14(21)16(20)23/h4-7,14H,1-3,8-11H2,(H2,20,23)/t14-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 364.83 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 8642134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).