N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide

C27H32N4O2 — CID 22729931

IUPACN,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-4-30(5-2)25(32)21-10-12-22(13-11-21)27(23-8-6-9-24(20-23)33-3)14-18-31(19-15-27)26-28-16-7-17-29-26/h6-13,16-17,20H,4-5,14-15,18-19H2,1-3H3
InChIKeyBJFDXOHNASHACI-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.55
Rot. Bonds7

About N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide

N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide (PubChem CID 22729931) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
PubChem CID22729931
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-4-30(5-2)25(32)21-10-12-22(13-11-21)27(23-8-6-9-24(20-23)33-3)14-18-31(19-15-27)26-28-16-7-17-29-26/h6-13,16-17,20H,4-5,14-15,18-19H2,1-3H3
InChIKeyBJFDXOHNASHACI-UHFFFAOYSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
N,N-diethyl-4-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]benzamide
CID 18507162
4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide
CID 23161173
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51936361
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985441
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]-N-methylsulfamate
CID 46201910
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide (CID 22729931) is N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide?
The InChIKey is BJFDXOHNASHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-30(5-2)25(32)21-10-12-22(13-11-21)27(23-8-6-9-24(20-23)33-3)14-18-31(19-15-27)26-28-16-7-17-29-26/h6-13,16-17,20H,4-5,14-15,18-19H2,1-3H3.
What are the key properties of N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide?
N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide is sourced from PubChem (CID 22729931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).