methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate

C16H20ClNO3 — CID 43404780

IUPACmethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO3/c1-21-16(20)13-8-10-18(11-9-13)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3
InChIKeyBIBGLZBNWCFXMS-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.68
Rot. Bonds4

About methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate

methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate (PubChem CID 43404780) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
PubChem CID43404780
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Namemethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO3/c1-21-16(20)13-8-10-18(11-9-13)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3
InChIKeyBIBGLZBNWCFXMS-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55353705
ethyl 1-[3-(2-chlorophenyl)propanoylcarbamothioyl]piperidine-4-carboxylate
CID 17231108
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate (CID 43404780) is methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1.
What is the InChIKey of methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The InChIKey is BIBGLZBNWCFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-21-16(20)13-8-10-18(11-9-13)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3.
What are the key properties of methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate has a molecular weight of 309.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43404780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).