1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde

C13H17N3O2 — CID 137008217

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H17N3O2/c17-8-9-3-5-16(6-4-9)11-7-12(18)15-13(14-11)10-1-2-10/h7-10H,1-6H2,(H,14,15,18)
InChIKeyKEPDMSKHVNCINN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde (PubChem CID 137008217) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
PubChem CID137008217
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H17N3O2/c17-8-9-3-5-16(6-4-9)11-7-12(18)15-13(14-11)10-1-2-10/h7-10H,1-6H2,(H,14,15,18)
InChIKeyKEPDMSKHVNCINN-UHFFFAOYSA-N
XLogP1.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
2-cyclopropyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731877
N-[[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792779
1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136834832
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 136957722
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957874
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958311
4-[4-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972883
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973296
4-(4-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973297
2-cyclopropyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973346

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde (CID 137008217) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde is O=CC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is KEPDMSKHVNCINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-8-9-3-5-16(6-4-9)11-7-12(18)15-13(14-11)10-1-2-10/h7-10H,1-6H2,(H,14,15,18).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 137008217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).