6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C27H33N5O4 — CID 45226926

IUPAC6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C27H33N5O4/c1-36-15-14-32(19-21-8-5-11-28-18-21)24(16-20-6-3-2-4-7-20)22-9-12-31(13-10-22)26(34)23-17-25(33)30-27(35)29-23/h2-8,11,17-18,22,24H,9-10,12-16,19H2,1H3,(H2,29,30,33,35)
InChIKeyXZVCUCODKSVZKV-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.07
Rot. Bonds10

About 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 45226926) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID45226926
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C27H33N5O4/c1-36-15-14-32(19-21-8-5-11-28-18-21)24(16-20-6-3-2-4-7-20)22-9-12-31(13-10-22)26(34)23-17-25(33)30-27(35)29-23/h2-8,11,17-18,22,24H,9-10,12-16,19H2,1H3,(H2,29,30,33,35)
InChIKeyXZVCUCODKSVZKV-UHFFFAOYSA-N
XLogP2.07
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-benzofuran-2-yl-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 118757257
(1S)-1-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 42168993
(1R)-1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 29256610
[4-[(1S)-1-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 42452737
(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 42277931
2-(2-chlorophenoxy)-1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]ethanone
CID 42407046
(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 26402942
6-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 106837060
N-[2-(4-fluorophenyl)-1-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126466837
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
N-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 45226926) is 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is COCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XZVCUCODKSVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-36-15-14-32(19-21-8-5-11-28-18-21)24(16-20-6-3-2-4-7-20)22-9-12-31(13-10-22)26(34)23-17-25(33)30-27(35)29-23/h2-8,11,17-18,22,24H,9-10,12-16,19H2,1H3,(H2,29,30,33,35).
What are the key properties of 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 491.59 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45226926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).