N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C15H27N3O2 — CID 42542254

IUPACN-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-4-8-18(12)14(19)11-17-9-6-13(7-10-17)15(20)16-2/h12-13H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyKIVDFILOCICIPR-LBPRGKRZSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds3

About N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 42542254) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID42542254
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C15H27N3O2/c1-12-5-3-4-8-18(12)14(19)11-17-9-6-13(7-10-17)15(20)16-2/h12-13H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyKIVDFILOCICIPR-LBPRGKRZSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 42542254) is N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KIVDFILOCICIPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-5-3-4-8-18(12)14(19)11-17-9-6-13(7-10-17)15(20)16-2/h12-13H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1.
What are the key properties of N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42542254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).