methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate

C15H23N3O2 — CID 171915007

IUPACmethyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate
SMILESCCCC1(C(=O)OC)CCN(Cc2ncccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-5-15(14(19)20-2)6-10-18(11-7-15)12-13-16-8-4-9-17-13/h4,8-9H,3,5-7,10-12H2,1-2H3
InChIKeyAOUIFDIZCGODCM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds5

About methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate

methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 171915007) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate
PubChem CID171915007
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate
SMILESCCCC1(C(=O)OC)CCN(Cc2ncccn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-5-15(14(19)20-2)6-10-18(11-7-15)12-13-16-8-4-9-17-13/h4,8-9H,3,5-7,10-12H2,1-2H3
InChIKeyAOUIFDIZCGODCM-UHFFFAOYSA-N
XLogP2.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate (CID 171915007) is methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate is CCCC1(C(=O)OC)CCN(Cc2ncccn2)CC1.
What is the InChIKey of methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is AOUIFDIZCGODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-15(14(19)20-2)6-10-18(11-7-15)12-13-16-8-4-9-17-13/h4,8-9H,3,5-7,10-12H2,1-2H3.
What are the key properties of methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate?
methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propyl-1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 171915007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).