2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate

C16H20Cl2N2O3 — CID 148887556

IUPAC2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate
SMILESNC(=O)C1CCN(CCOC(=O)Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O3/c17-13-7-11(8-14(18)10-13)9-15(21)23-6-5-20-3-1-12(2-4-20)16(19)22/h7-8,10,12H,1-6,9H2,(H2,19,22)
InChIKeyPEGUHCGGCIHPLU-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate

2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate (PubChem CID 148887556) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate
PubChem CID148887556
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate
SMILESNC(=O)C1CCN(CCOC(=O)Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O3/c17-13-7-11(8-14(18)10-13)9-15(21)23-6-5-20-3-1-12(2-4-20)16(19)22/h7-8,10,12H,1-6,9H2,(H2,19,22)
InChIKeyPEGUHCGGCIHPLU-UHFFFAOYSA-N
XLogP2.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914
2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
CID 89180853
1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
CID 20544942
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate (CID 148887556) is 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate is NC(=O)C1CCN(CCOC(=O)Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate?
The InChIKey is PEGUHCGGCIHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c17-13-7-11(8-14(18)10-13)9-15(21)23-6-5-20-3-1-12(2-4-20)16(19)22/h7-8,10,12H,1-6,9H2,(H2,19,22).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate?
2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate has a molecular weight of 359.25 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)ethyl 2-(3,5-dichlorophenyl)acetate is sourced from PubChem (CID 148887556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).