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

C14H28N4O2 — CID 82962339

IUPAC(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)13(15)14(20)16-9-12(19)18(4)11-5-7-17(3)8-6-11/h10-11,13H,5-9,15H2,1-4H3,(H,16,20)/t13-/m0/s1
InChIKeyBFEJHXAFFOMORV-ZDUSSCGKSA-N
MW284.40 g/mol
LogP-0.36
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide (PubChem CID 82962339) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
PubChem CID82962339
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)13(15)14(20)16-9-12(19)18(4)11-5-7-17(3)8-6-11/h10-11,13H,5-9,15H2,1-4H3,(H,16,20)/t13-/m0/s1
InChIKeyBFEJHXAFFOMORV-ZDUSSCGKSA-N
XLogP-0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide
CID 119331863
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 119331862
(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 82964251
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide (CID 82962339) is (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide?
The InChIKey is BFEJHXAFFOMORV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-10(2)13(15)14(20)16-9-12(19)18(4)11-5-7-17(3)8-6-11/h10-11,13H,5-9,15H2,1-4H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide has a molecular weight of 284.40 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 82962339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).