N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide

C16H30N4O3 — CID 167134006

IUPACN-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide
SMILESCC(C)C(=O)C(CCN)NC(=O)CNC(=O)CN1CCCCC1
InChIInChI=1S/C16H30N4O3/c1-12(2)16(23)13(6-7-17)19-14(21)10-18-15(22)11-20-8-4-3-5-9-20/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRROZHLRBNWKXMT-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.35
Rot. Bonds9

About N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide

N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide (PubChem CID 167134006) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide
PubChem CID167134006
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC NameN-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide
SMILESCC(C)C(=O)C(CCN)NC(=O)CNC(=O)CN1CCCCC1
InChIInChI=1S/C16H30N4O3/c1-12(2)16(23)13(6-7-17)19-14(21)10-18-15(22)11-20-8-4-3-5-9-20/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRROZHLRBNWKXMT-UHFFFAOYSA-N
XLogP-0.35
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]acetamide
CID 60848128
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
N-[2-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]octanamide
CID 126693998
2-[4-[2-[[2-(4-aminobutylamino)-2-oxoethyl]amino]-2-oxoethyl]-7-(3-methyl-2-oxobutyl)-1,4,7-triazonan-1-yl]acetic acid
CID 171804569
2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]propanamide
CID 123676891
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
2-(azonan-1-yl)acetohydrazide
CID 130750156
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide?
The IUPAC name of N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide (CID 167134006) is N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide?
The canonical SMILES for N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide is CC(C)C(=O)C(CCN)NC(=O)CNC(=O)CN1CCCCC1.
What is the InChIKey of N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide?
The InChIKey is RROZHLRBNWKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-12(2)16(23)13(6-7-17)19-14(21)10-18-15(22)11-20-8-4-3-5-9-20/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide?
N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide is sourced from PubChem (CID 167134006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).