N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide

C13H25N3O2 — CID 113314985

IUPACN-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-4-9(2)12(14)13(18)16-7-5-11(6-8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17)/t9-,12-/m0/s1
InChIKeyJBPLYULLEQAWMM-CABZTGNLSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds4

About N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide

N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide (PubChem CID 113314985) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
PubChem CID113314985
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-4-9(2)12(14)13(18)16-7-5-11(6-8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17)/t9-,12-/m0/s1
InChIKeyJBPLYULLEQAWMM-CABZTGNLSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
3-(4-acetamidopiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898933
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide (CID 113314985) is N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide is CC[C@H](C)[C@H](N)C(=O)N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide?
The InChIKey is JBPLYULLEQAWMM-CABZTGNLSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-9(2)12(14)13(18)16-7-5-11(6-8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17)/t9-,12-/m0/s1.
What are the key properties of N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide?
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 113314985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).