(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide

C21H26N2O4 — CID 71188145

IUPAC(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
SMILESCN(C)C(=O)C(O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3/t18?,19-/m1/s1
InChIKeyQDZVGYDQSBNSFG-MUMRKEEXSA-N
MW370.45 g/mol
LogP1.36
Rot. Bonds4

About (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide

(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 71188145) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
PubChem CID71188145
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
SMILESCN(C)C(=O)C(O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3/t18?,19-/m1/s1
InChIKeyQDZVGYDQSBNSFG-MUMRKEEXSA-N
XLogP1.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide (CID 71188145) is (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide is CN(C)C(=O)C(O)[C@@H](O)C(=O)N1CCC(c2ccc3ccccc3c2)CC1.
What is the InChIKey of (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is QDZVGYDQSBNSFG-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22(2)20(26)18(24)19(25)21(27)23-11-9-15(10-12-23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15,18-19,24-25H,9-12H2,1-2H3/t18?,19-/m1/s1.
What are the key properties of (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide?
(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 370.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 71188145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).