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

C15H31N3O — CID 126505031

IUPAC(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)10-14(16)15(19)17-7-5-9-18-8-4-6-13(3)11-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyJQIIXRJSZVYGNF-KZUDCZAMSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

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

(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide (PubChem CID 126505031) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
PubChem CID126505031
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)10-14(16)15(19)17-7-5-9-18-8-4-6-13(3)11-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyJQIIXRJSZVYGNF-KZUDCZAMSA-N
XLogP1.60
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 ≤ 51.60
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

(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide (CID 126505031) is (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCCN1CCCC(C)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide?
The InChIKey is JQIIXRJSZVYGNF-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)10-14(16)15(19)17-7-5-9-18-8-4-6-13(3)11-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide is sourced from PubChem (CID 126505031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).