methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate

C14H28N2O2 — CID 79392073

IUPACmethyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate
SMILESCCCN1CCC(NC(C)C(C)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-8-16-9-6-13(7-10-16)15-12(3)11(2)14(17)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyQAQOCURQNTXJIV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate

methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate (PubChem CID 79392073) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate
PubChem CID79392073
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate
SMILESCCCN1CCC(NC(C)C(C)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-8-16-9-6-13(7-10-16)15-12(3)11(2)14(17)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyQAQOCURQNTXJIV-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
CID 43723592
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 60722361
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293
methyl 2-methyl-3-[(4-methylsulfanylcyclohexyl)amino]butanoate
CID 114123356
N,N,4-trimethyl-2-[(1-propylpiperidin-4-yl)amino]pentanamide
CID 43674980
1-butyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43748354
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate (CID 79392073) is methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate is CCCN1CCC(NC(C)C(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate?
The InChIKey is QAQOCURQNTXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-8-16-9-6-13(7-10-16)15-12(3)11(2)14(17)18-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate?
methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate is sourced from PubChem (CID 79392073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).