1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid

C15H20N4O3 — CID 122092513

IUPAC1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ncc(NC(=O)N2CCCC(C(=O)O)C2)c(C2CC2)n1
InChIInChI=1S/C15H20N4O3/c1-9-16-7-12(13(17-9)10-4-5-10)18-15(22)19-6-2-3-11(8-19)14(20)21/h7,10-11H,2-6,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyRFMBJSUZNZIJNU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.99
Rot. Bonds3

About 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122092513) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122092513
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ncc(NC(=O)N2CCCC(C(=O)O)C2)c(C2CC2)n1
InChIInChI=1S/C15H20N4O3/c1-9-16-7-12(13(17-9)10-4-5-10)18-15(22)19-6-2-3-11(8-19)14(20)21/h7,10-11H,2-6,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyRFMBJSUZNZIJNU-UHFFFAOYSA-N
XLogP1.99
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087078
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089762

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122092513) is 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid is Cc1ncc(NC(=O)N2CCCC(C(=O)O)C2)c(C2CC2)n1.
What is the InChIKey of 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RFMBJSUZNZIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-16-7-12(13(17-9)10-4-5-10)18-15(22)19-6-2-3-11(8-19)14(20)21/h7,10-11H,2-6,8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122092513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).