methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate

C15H26N2O3 — CID 62212418

IUPACmethyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-20-15(19)13-6-10-17(11-7-13)14(18)3-2-12-4-8-16-9-5-12/h12-13,16H,2-11H2,1H3
InChIKeyJBSCRVRVYJPXQB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds4

About methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate

methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate (PubChem CID 62212418) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
PubChem CID62212418
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-20-15(19)13-6-10-17(11-7-13)14(18)3-2-12-4-8-16-9-5-12/h12-13,16H,2-11H2,1H3
InChIKeyJBSCRVRVYJPXQB-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate 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

3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
methyl 1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-carboxylate
CID 79035901
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate (CID 62212418) is methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JBSCRVRVYJPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-15(19)13-6-10-17(11-7-13)14(18)3-2-12-4-8-16-9-5-12/h12-13,16H,2-11H2,1H3.
What are the key properties of methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate?
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 62212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).