methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate

C14H27N3O3 — CID 83262149

IUPACmethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC1CCN(C(=O)N(C)C)CC1)C(C)C
InChIInChI=1S/C14H27N3O3/c1-10(2)12(13(18)20-5)15-11-6-8-17(9-7-11)14(19)16(3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyZHZILHBEPOJSRH-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate

methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate (PubChem CID 83262149) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate
PubChem CID83262149
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC1CCN(C(=O)N(C)C)CC1)C(C)C
InChIInChI=1S/C14H27N3O3/c1-10(2)12(13(18)20-5)15-11-6-8-17(9-7-11)14(19)16(3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyZHZILHBEPOJSRH-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-cyclopropylethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83198312
4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83206989
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201911
N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
CID 115899675
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 5027485
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate (CID 83262149) is methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate is COC(=O)C(NC1CCN(C(=O)N(C)C)CC1)C(C)C.
What is the InChIKey of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate?
The InChIKey is ZHZILHBEPOJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)12(13(18)20-5)15-11-6-8-17(9-7-11)14(19)16(3)4/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate?
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate has a molecular weight of 285.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate is sourced from PubChem (CID 83262149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).