1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C18H26N4O3 — CID 9134646

IUPAC1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCNC(=O)CN(C)C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-19-16(23)12-21(2)17(24)13-22-10-8-14(9-11-22)18(25)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyGVMZJGRDWONXOU-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.54
Rot. Bonds6

About 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134646) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134646
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCNC(=O)CN(C)C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-19-16(23)12-21(2)17(24)13-22-10-8-14(9-11-22)18(25)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyGVMZJGRDWONXOU-UHFFFAOYSA-N
XLogP0.54
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 9134646) is 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is CNC(=O)CN(C)C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GVMZJGRDWONXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-19-16(23)12-21(2)17(24)13-22-10-8-14(9-11-22)18(25)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).