methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate

C16H30N2O3 — CID 62209865

IUPACmethyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CCC1CCNCC1
InChIInChI=1S/C16H30N2O3/c1-13(2)12-18(11-8-16(20)21-3)15(19)5-4-14-6-9-17-10-7-14/h13-14,17H,4-12H2,1-3H3
InChIKeyKYGRHAAYIIAYJW-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds8

About methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate

methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate (PubChem CID 62209865) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
PubChem CID62209865
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CCC1CCNCC1
InChIInChI=1S/C16H30N2O3/c1-13(2)12-18(11-8-16(20)21-3)15(19)5-4-14-6-9-17-10-7-14/h13-14,17H,4-12H2,1-3H3
InChIKeyKYGRHAAYIIAYJW-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 62211442
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
N-(2-methylpropoxy)-3-piperidin-4-ylpropanamide
CID 82722183
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
N-methyl-N-(3-methylbutan-2-yl)-3-piperidin-4-ylpropanamide
CID 62210167
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
CID 54872362
methyl 3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 55891032
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate (CID 62209865) is methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)CCC1CCNCC1.
What is the InChIKey of methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate?
The InChIKey is KYGRHAAYIIAYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(2)12-18(11-8-16(20)21-3)15(19)5-4-14-6-9-17-10-7-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate?
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate has a molecular weight of 298.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate is sourced from PubChem (CID 62209865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).