2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide

C22H28FN5O2 — CID 42673835

IUPAC2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1
InChIInChI=1S/C22H28FN5O2/c23-18-6-4-17(5-7-18)20-25-16-19(21(26-20)28-9-2-1-3-10-28)22(29)24-8-11-27-12-14-30-15-13-27/h4-7,16H,1-3,8-15H2,(H,24,29)
InChIKeyBUKFVCIMXZBFQR-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide

2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 42673835) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID42673835
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1
InChIInChI=1S/C22H28FN5O2/c23-18-6-4-17(5-7-18)20-25-16-19(21(26-20)28-9-2-1-3-10-28)22(29)24-8-11-27-12-14-30-15-13-27/h4-7,16H,1-3,8-15H2,(H,24,29)
InChIKeyBUKFVCIMXZBFQR-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825
7-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873250
4-[ethyl(methyl)amino]-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-5-carboxamide
CID 42673443
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154121
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide (CID 42673835) is 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is BUKFVCIMXZBFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c23-18-6-4-17(5-7-18)20-25-16-19(21(26-20)28-9-2-1-3-10-28)22(29)24-8-11-27-12-14-30-15-13-27/h4-7,16H,1-3,8-15H2,(H,24,29).
What are the key properties of 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).