(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide

C20H31N3O2 — CID 120941555

IUPAC(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
SMILESCC1CC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-15-13-18(9-11-23(15)14-17-7-5-4-6-8-17)22(3)20(24)19-16(2)25-12-10-21-19/h4-8,15-16,18-19,21H,9-14H2,1-3H3/t15?,16-,18?,19+/m1/s1
InChIKeyMPEJKPNCIHSLTP-KXWSQRDISA-N
MW345.49 g/mol
LogP1.87
Rot. Bonds4

About (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide

(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120941555) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120941555
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
SMILESCC1CC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-15-13-18(9-11-23(15)14-17-7-5-4-6-8-17)22(3)20(24)19-16(2)25-12-10-21-19/h4-8,15-16,18-19,21H,9-14H2,1-3H3/t15?,16-,18?,19+/m1/s1
InChIKeyMPEJKPNCIHSLTP-KXWSQRDISA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide (CID 120941555) is (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide is CC1CC(N(C)C(=O)[C@H]2NCCO[C@@H]2C)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is MPEJKPNCIHSLTP-KXWSQRDISA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-13-18(9-11-23(15)14-17-7-5-4-6-8-17)22(3)20(24)19-16(2)25-12-10-21-19/h4-8,15-16,18-19,21H,9-14H2,1-3H3/t15?,16-,18?,19+/m1/s1.
What are the key properties of (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120941555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).