N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide

C12H24N4O2 — CID 145088372

IUPACN-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide
SMILESCC(=O)C(CN)NC(=O)CNC[C@@H]1CCCNC1
InChIInChI=1S/C12H24N4O2/c1-9(17)11(5-13)16-12(18)8-15-7-10-3-2-4-14-6-10/h10-11,14-15H,2-8,13H2,1H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyFHWMNFCKEFJJIB-NFJWQWPMSA-N
MW256.35 g/mol
LogP-1.39
Rot. Bonds7

About N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide

N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide (PubChem CID 145088372) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide
PubChem CID145088372
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide
SMILESCC(=O)C(CN)NC(=O)CNC[C@@H]1CCCNC1
InChIInChI=1S/C12H24N4O2/c1-9(17)11(5-13)16-12(18)8-15-7-10-3-2-4-14-6-10/h10-11,14-15H,2-8,13H2,1H3,(H,16,18)/t10-,11?/m1/s1
InChIKeyFHWMNFCKEFJJIB-NFJWQWPMSA-N
XLogP-1.39
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(piperidin-3-ylmethylamino)acetamide
CID 80553600
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
N-(2-methylpropoxy)-2-piperidin-3-ylacetamide
CID 82722311
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide
CID 170281932
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide?
The IUPAC name of N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide (CID 145088372) is N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide.
What is the SMILES notation for N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide?
The canonical SMILES for N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide is CC(=O)C(CN)NC(=O)CNC[C@@H]1CCCNC1.
What is the InChIKey of N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide?
The InChIKey is FHWMNFCKEFJJIB-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(17)11(5-13)16-12(18)8-15-7-10-3-2-4-14-6-10/h10-11,14-15H,2-8,13H2,1H3,(H,16,18)/t10-,11?/m1/s1.
What are the key properties of N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide?
N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide has a molecular weight of 256.35 g/mol, XLogP of -1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 145088372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).