N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C24H33N5O4 — CID 55576251

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C24H33N5O4/c1-3-32-21-16-20(28-11-13-31-14-12-28)22(33-4-2)15-19(21)27-23(30)18-7-5-10-29(17-18)24-25-8-6-9-26-24/h6,8-9,15-16,18H,3-5,7,10-14,17H2,1-2H3,(H,27,30)
InChIKeyJCLLSNRDJWMQGR-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.97
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55576251) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55576251
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C24H33N5O4/c1-3-32-21-16-20(28-11-13-31-14-12-28)22(33-4-2)15-19(21)27-23(30)18-7-5-10-29(17-18)24-25-8-6-9-26-24/h6,8-9,15-16,18H,3-5,7,10-14,17H2,1-2H3,(H,27,30)
InChIKeyJCLLSNRDJWMQGR-UHFFFAOYSA-N
XLogP2.97
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121241056
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(1R,6R)-6-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1139568
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41030803
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41307340
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4820653
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55576251) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is JCLLSNRDJWMQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-3-32-21-16-20(28-11-13-31-14-12-28)22(33-4-2)15-19(21)27-23(30)18-7-5-10-29(17-18)24-25-8-6-9-26-24/h6,8-9,15-16,18H,3-5,7,10-14,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55576251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).