2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid

C19H28N4O3 — CID 75517092

IUPAC2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-19(2,17(25)26)15-5-3-10-23(13-15)16(24)14-6-11-22(12-7-14)18-20-8-4-9-21-18/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,25,26)
InChIKeyUFVMOPKIIONYRR-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.04
Rot. Bonds4

About 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 75517092) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID75517092
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-19(2,17(25)26)15-5-3-10-23(13-15)16(24)14-6-11-22(12-7-14)18-20-8-4-9-21-18/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,25,26)
InChIKeyUFVMOPKIIONYRR-UHFFFAOYSA-N
XLogP2.04
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid (CID 75517092) is 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is UFVMOPKIIONYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-19(2,17(25)26)15-5-3-10-23(13-15)16(24)14-6-11-22(12-7-14)18-20-8-4-9-21-18/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 360.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 75517092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).