N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C24H26N4O4 — CID 139434898

IUPACN-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1cc(=O)[nH]c(=O)[nH]1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c29-22-16-21(26-24(31)27-22)19-6-2-3-7-20(19)25-23(30)17-8-10-18(11-9-17)32-15-14-28-12-4-1-5-13-28/h2-3,6-11,16H,1,4-5,12-15H2,(H,25,30)(H2,26,27,29,31)
InChIKeyJDMIWCXPZAKRPW-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 139434898) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID139434898
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1cc(=O)[nH]c(=O)[nH]1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c29-22-16-21(26-24(31)27-22)19-6-2-3-7-20(19)25-23(30)17-8-10-18(11-9-17)32-15-14-28-12-4-1-5-13-28/h2-3,6-11,16H,1,4-5,12-15H2,(H,25,30)(H2,26,27,29,31)
InChIKeyJDMIWCXPZAKRPW-UHFFFAOYSA-N
XLogP2.85
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
CID 139434962
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 139434898) is N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is O=C(Nc1ccccc1-c1cc(=O)[nH]c(=O)[nH]1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is JDMIWCXPZAKRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-22-16-21(26-24(31)27-22)19-6-2-3-7-20(19)25-23(30)17-8-10-18(11-9-17)32-15-14-28-12-4-1-5-13-28/h2-3,6-11,16H,1,4-5,12-15H2,(H,25,30)(H2,26,27,29,31).
What are the key properties of N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 139434898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).