1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid

C17H26N4O2 — CID 51046230

IUPAC1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCCC1CCCCN1c1ccnc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-2-14-5-3-4-10-21(14)15-6-9-18-17(19-15)20-11-7-13(8-12-20)16(22)23/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,22,23)
InChIKeyPHGDJDCBDFVEPB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid

1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid (PubChem CID 51046230) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
PubChem CID51046230
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESCCC1CCCCN1c1ccnc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-2-14-5-3-4-10-21(14)15-6-9-18-17(19-15)20-11-7-13(8-12-20)16(22)23/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,22,23)
InChIKeyPHGDJDCBDFVEPB-UHFFFAOYSA-N
XLogP2.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid (CID 51046230) is 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid is CCC1CCCCN1c1ccnc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is PHGDJDCBDFVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-14-5-3-4-10-21(14)15-6-9-18-17(19-15)20-11-7-13(8-12-20)16(22)23/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,22,23).
What are the key properties of 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 51046230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).