1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

C17H25N5O4 — CID 19154022

IUPAC1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOC(=O)C1CCN(c2ncnc(N3CCC(C(=O)O)CC3)c2N)CC1
InChIInChI=1S/C17H25N5O4/c1-26-17(25)12-4-8-22(9-5-12)15-13(18)14(19-10-20-15)21-6-2-11(3-7-21)16(23)24/h10-12H,2-9,18H2,1H3,(H,23,24)
InChIKeyZWUSFGZSAXSVKD-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.75
Rot. Bonds4

About 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 19154022) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID19154022
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOC(=O)C1CCN(c2ncnc(N3CCC(C(=O)O)CC3)c2N)CC1
InChIInChI=1S/C17H25N5O4/c1-26-17(25)12-4-8-22(9-5-12)15-13(18)14(19-10-20-15)21-6-2-11(3-7-21)16(23)24/h10-12H,2-9,18H2,1H3,(H,23,24)
InChIKeyZWUSFGZSAXSVKD-UHFFFAOYSA-N
XLogP0.75
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19135716
methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19144549
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
CID 19154024
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
CID 141092846
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
methyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148959
methyl 1-[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149063
methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
CID 19149368
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
methyl 1-[5-amino-6-[2-(4-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19150761

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 19154022) is 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is COC(=O)C1CCN(c2ncnc(N3CCC(C(=O)O)CC3)c2N)CC1.
What is the InChIKey of 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is ZWUSFGZSAXSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-26-17(25)12-4-8-22(9-5-12)15-13(18)14(19-10-20-15)21-6-2-11(3-7-21)16(23)24/h10-12H,2-9,18H2,1H3,(H,23,24).
What are the key properties of 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19154022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).