(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C21H33N3O4 — CID 126441822

IUPAC(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1OC
InChIInChI=1S/C21H33N3O4/c1-26-19-8-5-6-17(20(19)27-2)16-22-21(25)24-10-4-3-7-18(24)9-11-23-12-14-28-15-13-23/h5-6,8,18H,3-4,7,9-16H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyQVPZBLYAZWNONM-GOSISDBHSA-N
MW391.51 g/mol
LogP2.49
Rot. Bonds7

About (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 126441822) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
PubChem CID126441822
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1OC
InChIInChI=1S/C21H33N3O4/c1-26-19-8-5-6-17(20(19)27-2)16-22-21(25)24-10-4-3-7-18(24)9-11-23-12-14-28-15-13-23/h5-6,8,18H,3-4,7,9-16H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyQVPZBLYAZWNONM-GOSISDBHSA-N
XLogP2.49
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 126441822) is (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1OC.
What is the InChIKey of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is QVPZBLYAZWNONM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-26-19-8-5-6-17(20(19)27-2)16-22-21(25)24-10-4-3-7-18(24)9-11-23-12-14-28-15-13-23/h5-6,8,18H,3-4,7,9-16H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126441822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).