N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C22H28N6O3 — CID 55758856

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H28N6O3/c29-20(16-27-12-14-31-15-13-27)25-18-2-4-19(5-3-18)26-21(30)17-6-10-28(11-7-17)22-23-8-1-9-24-22/h1-5,8-9,17H,6-7,10-16H2,(H,25,29)(H,26,30)
InChIKeyYREPQJBYXCTWTA-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.60
Rot. Bonds6

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 55758856) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID55758856
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H28N6O3/c29-20(16-27-12-14-31-15-13-27)25-18-2-4-19(5-3-18)26-21(30)17-6-10-28(11-7-17)22-23-8-1-9-24-22/h1-5,8-9,17H,6-7,10-16H2,(H,25,29)(H,26,30)
InChIKeyYREPQJBYXCTWTA-UHFFFAOYSA-N
XLogP1.60
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 51590883
N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55979213
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701615
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 55758856) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is YREPQJBYXCTWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c29-20(16-27-12-14-31-15-13-27)25-18-2-4-19(5-3-18)26-21(30)17-6-10-28(11-7-17)22-23-8-1-9-24-22/h1-5,8-9,17H,6-7,10-16H2,(H,25,29)(H,26,30).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55758856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).