N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide

C19H24FN5O — CID 95107896

IUPACN-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccc(F)cc3)C2)ncn1
InChIInChI=1S/C19H24FN5O/c1-24(2)17-11-18(22-13-21-17)25-9-3-4-16(12-25)23-19(26)10-14-5-7-15(20)8-6-14/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyIFKYHUKBEJITJU-MRXNPFEDSA-N
MW357.43 g/mol
LogP2.01
Rot. Bonds5

About N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide

N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 95107896) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID95107896
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccc(F)cc3)C2)ncn1
InChIInChI=1S/C19H24FN5O/c1-24(2)17-11-18(22-13-21-17)25-9-3-4-16(12-25)23-19(26)10-14-5-7-15(20)8-6-14/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyIFKYHUKBEJITJU-MRXNPFEDSA-N
XLogP2.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide 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

N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
CID 95107912
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-fluorobenzamide
CID 95107883
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
CID 95107873
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95103173
6-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 95894366
2-(3,4-diethoxyphenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741584
N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 110111092

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide (CID 95107896) is N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide is CN(C)c1cc(N2CCC[C@@H](NC(=O)Cc3ccc(F)cc3)C2)ncn1.
What is the InChIKey of N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IFKYHUKBEJITJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-24(2)17-11-18(22-13-21-17)25-9-3-4-16(12-25)23-19(26)10-14-5-7-15(20)8-6-14/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide?
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 95107896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).