2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one

C15H30N2O2 — CID 81089188

IUPAC2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)12-7-9-17(10-8-12)14(18)13(16)6-5-11-19-4/h12-13H,5-11,16H2,1-4H3
InChIKeyJZOSJGNIHMXAIP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds5

About 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one

2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one (PubChem CID 81089188) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
PubChem CID81089188
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)12-7-9-17(10-8-12)14(18)13(16)6-5-11-19-4/h12-13H,5-11,16H2,1-4H3
InChIKeyJZOSJGNIHMXAIP-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2-amino-5-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 81088625
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one (CID 81089188) is 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one?
The InChIKey is JZOSJGNIHMXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)12-7-9-17(10-8-12)14(18)13(16)6-5-11-19-4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one?
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 81089188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).