ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate

C16H23N3O2 — CID 126849578

IUPACethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C16H23N3O2/c1-2-21-16(20)13-4-3-7-19(10-13)15-9-14(17-11-18-15)8-12-5-6-12/h9,11-13H,2-8,10H2,1H3
InChIKeyGNEPZHDRXLMYPZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds5

About ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate

ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate (PubChem CID 126849578) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
PubChem CID126849578
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C16H23N3O2/c1-2-21-16(20)13-4-3-7-19(10-13)15-9-14(17-11-18-15)8-12-5-6-12/h9,11-13H,2-8,10H2,1H3
InChIKeyGNEPZHDRXLMYPZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849901
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 42808596
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
ethyl 1-(4-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 62006232
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate (CID 126849578) is ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(CC3CC3)ncn2)C1.
What is the InChIKey of ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate?
The InChIKey is GNEPZHDRXLMYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-16(20)13-4-3-7-19(10-13)15-9-14(17-11-18-15)8-12-5-6-12/h9,11-13H,2-8,10H2,1H3.
What are the key properties of ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate?
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 126849578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).