4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide

C13H26N4O2 — CID 81075421

IUPAC4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
SMILESCNC(=O)CN1CCC(NC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H26N4O2/c1-10(8-14)7-12(18)16-11-3-5-17(6-4-11)9-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyMZNDLGSMBJDBNO-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.70
Rot. Bonds6

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

4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide (PubChem CID 81075421) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
PubChem CID81075421
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
SMILESCNC(=O)CN1CCC(NC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H26N4O2/c1-10(8-14)7-12(18)16-11-3-5-17(6-4-11)9-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyMZNDLGSMBJDBNO-UHFFFAOYSA-N
XLogP-0.70
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 64617968
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
N-methyl-2-[4-(2-methylpentylamino)piperidin-1-yl]acetamide
CID 43691410
1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide (CID 81075421) is 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide is CNC(=O)CN1CCC(NC(=O)CC(C)CN)CC1.
What is the InChIKey of 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide?
The InChIKey is MZNDLGSMBJDBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(8-14)7-12(18)16-11-3-5-17(6-4-11)9-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide?
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide has a molecular weight of 270.38 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 81075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).