3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C15H30N4O2 — CID 120507437

IUPAC3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N[C@@H](C)CN)C1
InChIInChI=1S/C15H30N4O2/c1-11(2)9-17-15(21)19-6-4-5-13(10-19)7-14(20)18-12(3)8-16/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20)/t12-,13?/m0/s1
InChIKeyFMOYFBPLKDJTGU-UEWDXFNNSA-N
MW298.43 g/mol
LogP0.92
Rot. Bonds6

About 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 120507437) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID120507437
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N[C@@H](C)CN)C1
InChIInChI=1S/C15H30N4O2/c1-11(2)9-17-15(21)19-6-4-5-13(10-19)7-14(20)18-12(3)8-16/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20)/t12-,13?/m0/s1
InChIKeyFMOYFBPLKDJTGU-UEWDXFNNSA-N
XLogP0.92
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide with MolForge

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Related Compounds

3-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119617925
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119664765
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 120507437) is 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(CC(=O)N[C@@H](C)CN)C1.
What is the InChIKey of 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is FMOYFBPLKDJTGU-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(2)9-17-15(21)19-6-4-5-13(10-19)7-14(20)18-12(3)8-16/h11-13H,4-10,16H2,1-3H3,(H,17,21)(H,18,20)/t12-,13?/m0/s1.
What are the key properties of 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 120507437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).