2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide

C15H31N3O — CID 54863095

IUPAC2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-6-11(2)13(16)14(19)17-12-7-9-18(10-8-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyJFGRSKYAZCTPRZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide

2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide (PubChem CID 54863095) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
PubChem CID54863095
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-6-11(2)13(16)14(19)17-12-7-9-18(10-8-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyJFGRSKYAZCTPRZ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
CID 65230009
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430985
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide (CID 54863095) is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide?
The InChIKey is JFGRSKYAZCTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-11(2)13(16)14(19)17-12-7-9-18(10-8-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide?
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide is sourced from PubChem (CID 54863095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).