N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

C18H21N5O2 — CID 90544511

IUPACN-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H21N5O2/c24-17(12-19-18(25)14-7-3-1-4-8-14)22-15-11-16(21-13-20-15)23-9-5-2-6-10-23/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,19,25)(H,20,21,22,24)
InChIKeyLNOPAKHQDHNAEL-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.84
Rot. Bonds5

About N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 90544511) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID90544511
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H21N5O2/c24-17(12-19-18(25)14-7-3-1-4-8-14)22-15-11-16(21-13-20-15)23-9-5-2-6-10-23/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,19,25)(H,20,21,22,24)
InChIKeyLNOPAKHQDHNAEL-UHFFFAOYSA-N
XLogP1.84
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 90544511) is N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is LNOPAKHQDHNAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(12-19-18(25)14-7-3-1-4-8-14)22-15-11-16(21-13-20-15)23-9-5-2-6-10-23/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,19,25)(H,20,21,22,24).
What are the key properties of N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 90544511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).