3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C18H34N4O2 — CID 119444654

IUPAC3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2CCNCC2)C1
InChIInChI=1S/C18H34N4O2/c1-14(2)12-20-18(24)22-10-4-5-15(13-22)11-17(23)21(3)16-6-8-19-9-7-16/h14-16,19H,4-13H2,1-3H3,(H,20,24)
InChIKeyDJIVLTPLNBCRLW-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.66
Rot. Bonds5

About 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 119444654) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID119444654
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2CCNCC2)C1
InChIInChI=1S/C18H34N4O2/c1-14(2)12-20-18(24)22-10-4-5-15(13-22)11-17(23)21(3)16-6-8-19-9-7-16/h14-16,19H,4-13H2,1-3H3,(H,20,24)
InChIKeyDJIVLTPLNBCRLW-UHFFFAOYSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539836
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
3-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119617925
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 119444654) is 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2CCNCC2)C1.
What is the InChIKey of 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is DJIVLTPLNBCRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14(2)12-20-18(24)22-10-4-5-15(13-22)11-17(23)21(3)16-6-8-19-9-7-16/h14-16,19H,4-13H2,1-3H3,(H,20,24).
What are the key properties of 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 119444654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).