methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate

C17H32N2O2 — CID 83996009

IUPACmethyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCCC(C)C)CN(C(C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-12(2)7-8-18-16-9-15(17(20)21-4)10-19(11-16)13(3)14-5-6-14/h12-16,18H,5-11H2,1-4H3
InChIKeyOBTKRTAQVUWWSF-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.28
Rot. Bonds7

About methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate

methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate (PubChem CID 83996009) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
PubChem CID83996009
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCCC(C)C)CN(C(C)C2CC2)C1
InChIInChI=1S/C17H32N2O2/c1-12(2)7-8-18-16-9-15(17(20)21-4)10-19(11-16)13(3)14-5-6-14/h12-16,18H,5-11H2,1-4H3
InChIKeyOBTKRTAQVUWWSF-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83996007
methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83991561
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83999822
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate (CID 83996009) is methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCCC(C)C)CN(C(C)C2CC2)C1.
What is the InChIKey of methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate?
The InChIKey is OBTKRTAQVUWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(2)7-8-18-16-9-15(17(20)21-4)10-19(11-16)13(3)14-5-6-14/h12-16,18H,5-11H2,1-4H3.
What are the key properties of methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate?
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83996009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).