2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide

C13H27N3O2 — CID 81082304

IUPAC2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCOCCCC(N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-15-8-6-11(7-9-15)16(2)13(17)12(14)5-4-10-18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyWSSRAYJDDYWABL-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide

2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 81082304) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID81082304
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCOCCCC(N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-15-8-6-11(7-9-15)16(2)13(17)12(14)5-4-10-18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyWSSRAYJDDYWABL-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-3-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 81082211
2-amino-5-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 81089103
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
CID 55091669
2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 81101601
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide (CID 81082304) is 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide is COCCCC(N)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is WSSRAYJDDYWABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15-8-6-11(7-9-15)16(2)13(17)12(14)5-4-10-18-3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 81082304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).