(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide

C13H27N3O — CID 79012313

IUPAC(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
SMILESCCN1CCC(CNC(=O)[C@H](N)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16-7-5-11(6-8-16)9-15-13(17)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeySXNPZGJOEVKINX-GFCCVEGCSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide

(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide (PubChem CID 79012313) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
PubChem CID79012313
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
SMILESCCN1CCC(CNC(=O)[C@H](N)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16-7-5-11(6-8-16)9-15-13(17)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeySXNPZGJOEVKINX-GFCCVEGCSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 80543737
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
2-acetamido-N-[(1-ethylpiperidin-4-yl)methyl]-3-sulfanylpropanamide
CID 107769367
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide (CID 79012313) is (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide is CCN1CCC(CNC(=O)[C@H](N)C(C)C)CC1.
What is the InChIKey of (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide?
The InChIKey is SXNPZGJOEVKINX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16-7-5-11(6-8-16)9-15-13(17)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide?
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 79012313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).