1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid

C15H21N5O3 — CID 122051078

IUPAC1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCN1CCN(c2cc(N3CCCC(C(=O)O)C3)ncn2)CC1=O
InChIInChI=1S/C15H21N5O3/c1-18-5-6-20(9-14(18)21)13-7-12(16-10-17-13)19-4-2-3-11(8-19)15(22)23/h7,10-11H,2-6,8-9H2,1H3,(H,22,23)
InChIKeyLTPVVANTRDZVLZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.06
Rot. Bonds3

About 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid

1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 122051078) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID122051078
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCN1CCN(c2cc(N3CCCC(C(=O)O)C3)ncn2)CC1=O
InChIInChI=1S/C15H21N5O3/c1-18-5-6-20(9-14(18)21)13-7-12(16-10-17-13)19-4-2-3-11(8-19)15(22)23/h7,10-11H,2-6,8-9H2,1H3,(H,22,23)
InChIKeyLTPVVANTRDZVLZ-UHFFFAOYSA-N
XLogP0.06
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
CID 133464428
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 133492404

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 122051078) is 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid is CN1CCN(c2cc(N3CCCC(C(=O)O)C3)ncn2)CC1=O.
What is the InChIKey of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is LTPVVANTRDZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18-5-6-20(9-14(18)21)13-7-12(16-10-17-13)19-4-2-3-11(8-19)15(22)23/h7,10-11H,2-6,8-9H2,1H3,(H,22,23).
What are the key properties of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 319.37 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122051078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).