(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide

C15H31N3O — CID 104902575

IUPAC(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C15H31N3O/c1-12(2)11-14(16)15(19)17-8-6-10-18-9-5-4-7-13(18)3/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyYJUQGYDSABATHS-ARLHGKGLSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide

(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide (PubChem CID 104902575) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
PubChem CID104902575
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C15H31N3O/c1-12(2)11-14(16)15(19)17-8-6-10-18-9-5-4-7-13(18)3/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyYJUQGYDSABATHS-ARLHGKGLSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
2-amino-4-methyl-N-[1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanamide
CID 70061011
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
2-methyl-N-[2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111371125
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide (CID 104902575) is (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide is CC(C)C[C@@H](N)C(=O)NCCCN1CCCCC1C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide?
The InChIKey is YJUQGYDSABATHS-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)11-14(16)15(19)17-8-6-10-18-9-5-4-7-13(18)3/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide?
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide is sourced from PubChem (CID 104902575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).