N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C24H33N5O3 — CID 95100785

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H33N5O3/c1-3-32-21-6-4-19(5-7-21)18(2)27-24(30)20-8-10-28(11-9-20)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,20H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyVOBCYLGRDUCWGV-GOSISDBHSA-N
MW439.56 g/mol
LogP2.81
Rot. Bonds7

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 95100785) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID95100785
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H33N5O3/c1-3-32-21-6-4-19(5-7-21)18(2)27-24(30)20-8-10-28(11-9-20)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,20H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyVOBCYLGRDUCWGV-GOSISDBHSA-N
XLogP2.81
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100787
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 95100802
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 95114164
N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165858
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
N-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165812
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166945
N-[[4-(dimethylamino)phenyl]methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165860
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35444619
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100791

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 95100785) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is VOBCYLGRDUCWGV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-32-21-6-4-19(5-7-21)18(2)27-24(30)20-8-10-28(11-9-20)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,20H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95100785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).