3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide

C15H31N3O — CID 120503040

IUPAC3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
SMILESCC1CCN(CCCCNC(=O)C(C)C(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-12-6-10-18(11-7-12)9-5-4-8-17-15(19)13(2)14(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyGKUVTYNMUVIEHD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide

3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide (PubChem CID 120503040) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
PubChem CID120503040
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
SMILESCC1CCN(CCCCNC(=O)C(C)C(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-12-6-10-18(11-7-12)9-5-4-8-17-15(19)13(2)14(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyGKUVTYNMUVIEHD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide (CID 120503040) is 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide is CC1CCN(CCCCNC(=O)C(C)C(C)N)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The InChIKey is GKUVTYNMUVIEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12-6-10-18(11-7-12)9-5-4-8-17-15(19)13(2)14(3)16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide 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 3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide is sourced from PubChem (CID 120503040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).