1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid

C19H24N4O2 — CID 56874329

IUPAC1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESNc1cc(N2CCC(CCCc3ccccc3)(C(=O)O)CC2)ncn1
InChIInChI=1S/C19H24N4O2/c20-16-13-17(22-14-21-16)23-11-9-19(10-12-23,18(24)25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12H2,(H,24,25)(H2,20,21,22)
InChIKeyJFIQPHOOUOWIFB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.75
Rot. Bonds6

About 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid

1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 56874329) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID56874329
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESNc1cc(N2CCC(CCCc3ccccc3)(C(=O)O)CC2)ncn1
InChIInChI=1S/C19H24N4O2/c20-16-13-17(22-14-21-16)23-11-9-19(10-12-23,18(24)25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12H2,(H,24,25)(H2,20,21,22)
InChIKeyJFIQPHOOUOWIFB-UHFFFAOYSA-N
XLogP2.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid (CID 56874329) is 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid is Nc1cc(N2CCC(CCCc3ccccc3)(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is JFIQPHOOUOWIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-16-13-17(22-14-21-16)23-11-9-19(10-12-23,18(24)25)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12H2,(H,24,25)(H2,20,21,22).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56874329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).