(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide

C12H25N3O — CID 71173155

IUPAC(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(13)12(16)15-8-10-5-3-4-6-14-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeySBKLSHBXDRZFQL-DTIOYNMSSA-N
MW227.35 g/mol
LogP0.62
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide

(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide (PubChem CID 71173155) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide
PubChem CID71173155
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCCCN1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(13)12(16)15-8-10-5-3-4-6-14-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeySBKLSHBXDRZFQL-DTIOYNMSSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide (CID 71173155) is (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCC1CCCCN1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide?
The InChIKey is SBKLSHBXDRZFQL-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-11(13)12(16)15-8-10-5-3-4-6-14-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(piperidin-2-ylmethyl)pentanamide is sourced from PubChem (CID 71173155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).