methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate

C15H28N2O2 — CID 103233428

IUPACmethyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
SMILESCOC(=O)C(NCCCN1CCCCC1C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12-6-3-4-10-17(12)11-5-9-16-14(13-7-8-13)15(18)19-2/h12-14,16H,3-11H2,1-2H3
InChIKeyCVIQPWBGEHANLQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate

methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate (PubChem CID 103233428) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
PubChem CID103233428
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
SMILESCOC(=O)C(NCCCN1CCCCC1C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12-6-3-4-10-17(12)11-5-9-16-14(13-7-8-13)15(18)19-2/h12-14,16H,3-11H2,1-2H3
InChIKeyCVIQPWBGEHANLQ-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 43085200
N,N-dimethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43086437
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
CID 43113637
N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43312067
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 79629128

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate (CID 103233428) is methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate is COC(=O)C(NCCCN1CCCCC1C)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate?
The InChIKey is CVIQPWBGEHANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-6-3-4-10-17(12)11-5-9-16-14(13-7-8-13)15(18)19-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate?
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate is sourced from PubChem (CID 103233428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).