N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride

C19H23ClN4O4 — CID 154893991

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C19H22N4O4.ClH/c1-27-16-15(23-17(25)13-10-14(24)22-18(26)21-13)11-4-2-3-5-12(11)19(16)6-8-20-9-7-19;/h2-5,10,15-16,20H,6-9H2,1H3,(H,23,25)(H2,21,22,24,26);1H/t15-,16+;/m1./s1
InChIKeyJXFFNCCIPJZESP-RCPFAERMSA-N
MW406.87 g/mol
LogP0.61
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride (PubChem CID 154893991) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
PubChem CID154893991
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C19H22N4O4.ClH/c1-27-16-15(23-17(25)13-10-14(24)22-18(26)21-13)11-4-2-3-5-12(11)19(16)6-8-20-9-7-19;/h2-5,10,15-16,20H,6-9H2,1H3,(H,23,25)(H2,21,22,24,26);1H/t15-,16+;/m1./s1
InChIKeyJXFFNCCIPJZESP-RCPFAERMSA-N
XLogP0.61
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride (CID 154893991) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride is CO[C@H]1[C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccc2C12CCNCC2.Cl.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is JXFFNCCIPJZESP-RCPFAERMSA-N. The full InChI is InChI=1S/C19H22N4O4.ClH/c1-27-16-15(23-17(25)13-10-14(24)22-18(26)21-13)11-4-2-3-5-12(11)19(16)6-8-20-9-7-19;/h2-5,10,15-16,20H,6-9H2,1H3,(H,23,25)(H2,21,22,24,26);1H/t15-,16+;/m1./s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 406.87 g/mol, XLogP of 0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 154893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).