1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid

C14H19N3O2 — CID 114422339

IUPAC1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2ncnc3c2CCC3)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O2/c1-9-5-6-17(12(7-9)14(18)19)13-10-3-2-4-11(10)15-8-16-13/h8-9,12H,2-7H2,1H3,(H,18,19)
InChIKeyWXQZYZITONKTLP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds2

About 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422339) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114422339
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2ncnc3c2CCC3)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O2/c1-9-5-6-17(12(7-9)14(18)19)13-10-3-2-4-11(10)15-8-16-13/h8-9,12H,2-7H2,1H3,(H,18,19)
InChIKeyWXQZYZITONKTLP-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 103442231
1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422251
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422383
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 114422310
4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422399
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
[4-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049091
4-methyl-1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114422330
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009
N-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 154766796

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid (CID 114422339) is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(c2ncnc3c2CCC3)C(C(=O)O)C1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is WXQZYZITONKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-6-17(12(7-9)14(18)19)13-10-3-2-4-11(10)15-8-16-13/h8-9,12H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).