(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

C22H34N2O3 — CID 143214864

IUPAC(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESCC[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCC(C)CC3)ccc21
InChIInChI=1S/C22H34N2O3/c1-3-20(25)21(26)22(27)23-19-6-4-5-17-13-16(7-8-18(17)19)14-24-11-9-15(2)10-12-24/h7-8,13,15,19-21,25-26H,3-6,9-12,14H2,1-2H3,(H,23,27)/t19-,20-,21-/m1/s1
InChIKeyLZWYSMRGJZAGRA-NJDAHSKKSA-N
MW374.53 g/mol
LogP2.54
Rot. Bonds6

About (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (PubChem CID 143214864) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
PubChem CID143214864
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESCC[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCC(C)CC3)ccc21
InChIInChI=1S/C22H34N2O3/c1-3-20(25)21(26)22(27)23-19-6-4-5-17-13-16(7-8-18(17)19)14-24-11-9-15(2)10-12-24/h7-8,13,15,19-21,25-26H,3-6,9-12,14H2,1-2H3,(H,23,27)/t19-,20-,21-/m1/s1
InChIKeyLZWYSMRGJZAGRA-NJDAHSKKSA-N
XLogP2.54
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (CID 143214864) is (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is CC[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCC(C)CC3)ccc21.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The InChIKey is LZWYSMRGJZAGRA-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-20(25)21(26)22(27)23-19-6-4-5-17-13-16(7-8-18(17)19)14-24-11-9-15(2)10-12-24/h7-8,13,15,19-21,25-26H,3-6,9-12,14H2,1-2H3,(H,23,27)/t19-,20-,21-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
(2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide has a molecular weight of 374.53 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is sourced from PubChem (CID 143214864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).