N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide

C22H28FN3O — CID 17087629

IUPACN-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1F
InChIInChI=1S/C22H28FN3O/c1-16(2)19-7-5-18(6-8-19)15-25-10-12-26(13-11-25)22(27)24-20-9-4-17(3)21(23)14-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyYHBCTAHNCNJVEU-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.61
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17087629) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide
PubChem CID17087629
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1F
InChIInChI=1S/C22H28FN3O/c1-16(2)19-7-5-18(6-8-19)15-25-10-12-26(13-11-25)22(27)24-20-9-4-17(3)21(23)14-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyYHBCTAHNCNJVEU-UHFFFAOYSA-N
XLogP4.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-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

4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
N-(3-fluoro-4-methylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17087632
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757467
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
4-[[4-[2-(4-propan-2-ylanilino)ethyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 70944767
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide (CID 17087629) is N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is YHBCTAHNCNJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-16(2)19-7-5-18(6-8-19)15-25-10-12-26(13-11-25)22(27)24-20-9-4-17(3)21(23)14-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17087629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).