2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide

C13H27N3O — CID 54917233

IUPAC2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-11-6-8-16(5-2)9-7-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPSVQBWZUMVWJLV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

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

2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide (PubChem CID 54917233) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
PubChem CID54917233
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-11-6-8-16(5-2)9-7-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPSVQBWZUMVWJLV-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
(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)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
CID 65292005
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide (CID 54917233) is 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCN(CC)CC1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide?
The InChIKey is PSVQBWZUMVWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-11-6-8-16(5-2)9-7-11/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide?
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide is sourced from PubChem (CID 54917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).