2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide

C18H34N4O2 — CID 97242943

IUPAC2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1
InChIInChI=1S/C18H34N4O2/c1-14(23)19-13-18(24)22(4)17-8-6-5-7-16(17)21(3)15-9-11-20(2)12-10-15/h15-17H,5-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyCSEQONISGUVYND-DLBZAZTESA-N
MW338.50 g/mol
LogP0.92
Rot. Bonds5

About 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide

2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide (PubChem CID 97242943) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide
PubChem CID97242943
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1
InChIInChI=1S/C18H34N4O2/c1-14(23)19-13-18(24)22(4)17-8-6-5-7-16(17)21(3)15-9-11-20(2)12-10-15/h15-17H,5-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyCSEQONISGUVYND-DLBZAZTESA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
CID 96519739
N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 97242942
2-acetamido-N-[(1R,2S,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-N-methylacetamide
CID 110128170
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea
CID 75393711
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
molecular hydrogen;trans-(1S,2S)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 142330056
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-amino-N-[2-[(2-hydroxycyclohexyl)-methylamino]-2-oxoethyl]acetamide
CID 102631962

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide (CID 97242943) is 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide is CC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1.
What is the InChIKey of 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide?
The InChIKey is CSEQONISGUVYND-DLBZAZTESA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14(23)19-13-18(24)22(4)17-8-6-5-7-16(17)21(3)15-9-11-20(2)12-10-15/h15-17H,5-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1.
What are the key properties of 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide?
2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide has a molecular weight of 338.50 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 97242943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).