3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid

C15H21N3O2 — CID 72934927

IUPAC3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C15H21N3O2/c19-14(20)15(9-12-3-4-12)5-1-8-18(11-15)10-13-16-6-2-7-17-13/h2,6-7,12H,1,3-5,8-11H2,(H,19,20)
InChIKeyVMGCHOVDPRLQEX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.94
Rot. Bonds5

About 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid

3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 72934927) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID72934927
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C15H21N3O2/c19-14(20)15(9-12-3-4-12)5-1-8-18(11-15)10-13-16-6-2-7-17-13/h2,6-7,12H,1,3-5,8-11H2,(H,19,20)
InChIKeyVMGCHOVDPRLQEX-UHFFFAOYSA-N
XLogP1.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid (CID 72934927) is 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(CC2CC2)CCCN(Cc2ncccn2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is VMGCHOVDPRLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(20)15(9-12-3-4-12)5-1-8-18(11-15)10-13-16-6-2-7-17-13/h2,6-7,12H,1,3-5,8-11H2,(H,19,20).
What are the key properties of 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid?
3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72934927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).