N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide

C18H27N3O2 — CID 95255682

IUPACN-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C18H27N3O2/c1-12-8-9-16(20-15(4)22)17(10-12)19-11-18(23)21-13(2)6-5-7-14(21)3/h8-10,13-14,19H,5-7,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyNDPVTOZMBWGXAY-ZIAGYGMSSA-N
MW317.43 g/mol
LogP3.15
Rot. Bonds4

About N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide

N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide (PubChem CID 95255682) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
PubChem CID95255682
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C18H27N3O2/c1-12-8-9-16(20-15(4)22)17(10-12)19-11-18(23)21-13(2)6-5-7-14(21)3/h8-10,13-14,19H,5-7,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyNDPVTOZMBWGXAY-ZIAGYGMSSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide (CID 95255682) is N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@H](C)CCC[C@H]1C.
What is the InChIKey of N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide?
The InChIKey is NDPVTOZMBWGXAY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-9-16(20-15(4)22)17(10-12)19-11-18(23)21-13(2)6-5-7-14(21)3/h8-10,13-14,19H,5-7,11H2,1-4H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide?
N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 95255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).