N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C18H31N3O2 — CID 94632422

IUPACN-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H31N3O2/c1-13-4-3-5-14(2)21(13)17(22)12-20-10-8-15(9-11-20)18(23)19-16-6-7-16/h13-16H,3-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyLZSUAXAAGVSDRY-ZIAGYGMSSA-N
MW321.47 g/mol
LogP1.77
Rot. Bonds4

About N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 94632422) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID94632422
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H31N3O2/c1-13-4-3-5-14(2)21(13)17(22)12-20-10-8-15(9-11-20)18(23)19-16-6-7-16/h13-16H,3-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyLZSUAXAAGVSDRY-ZIAGYGMSSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
1-(2-aminoethyl)-N-cyclobutylpiperidine-4-carboxamide
CID 115161796
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 57443202
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 176726295

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 94632422) is N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LZSUAXAAGVSDRY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13-4-3-5-14(2)21(13)17(22)12-20-10-8-15(9-11-20)18(23)19-16-6-7-16/h13-16H,3-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 94632422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).