N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide

C14H27N3O2 — CID 119746034

IUPACN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
SMILESCCC(C)C(N)C(=O)N1CCCC(CNC(C)=O)C1
InChIInChI=1S/C14H27N3O2/c1-4-10(2)13(15)14(19)17-7-5-6-12(9-17)8-16-11(3)18/h10,12-13H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyPGSVTOUOULCMED-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.73
Rot. Bonds5

About N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide

N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide (PubChem CID 119746034) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
PubChem CID119746034
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
SMILESCCC(C)C(N)C(=O)N1CCCC(CNC(C)=O)C1
InChIInChI=1S/C14H27N3O2/c1-4-10(2)13(15)14(19)17-7-5-6-12(9-17)8-16-11(3)18/h10,12-13H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyPGSVTOUOULCMED-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
2-amino-3-methyl-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62973813

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide (CID 119746034) is N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide is CCC(C)C(N)C(=O)N1CCCC(CNC(C)=O)C1.
What is the InChIKey of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is PGSVTOUOULCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-10(2)13(15)14(19)17-7-5-6-12(9-17)8-16-11(3)18/h10,12-13H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 119746034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).