(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide

C16H21ClN2O2 — CID 110087313

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-4-19-14(20)10-9-12(16(21)18(2)3)15(19)11-7-5-6-8-13(11)17/h5-8,12,15H,4,9-10H2,1-3H3/t12-,15+/m1/s1
InChIKeyNLVPBVJIHFQLBY-DOMZBBRYSA-N
MW308.81 g/mol
LogP2.73
Rot. Bonds3

About (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide (PubChem CID 110087313) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
PubChem CID110087313
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-4-19-14(20)10-9-12(16(21)18(2)3)15(19)11-7-5-6-8-13(11)17/h5-8,12,15H,4,9-10H2,1-3H3/t12-,15+/m1/s1
InChIKeyNLVPBVJIHFQLBY-DOMZBBRYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide (CID 110087313) is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is NLVPBVJIHFQLBY-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-19-14(20)10-9-12(16(21)18(2)3)15(19)11-7-5-6-8-13(11)17/h5-8,12,15H,4,9-10H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).