1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

C18H27FN4O2 — CID 119734475

IUPAC1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCC(C)C[C@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O2/c1-12(2)11-16(20)17(24)23-9-7-15(8-10-23)22-18(25)21-14-5-3-13(19)4-6-14/h3-6,12,15-16H,7-11,20H2,1-2H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyVYIGRJUJGMBBEL-INIZCTEOSA-N
MW350.44 g/mol
LogP2.31
Rot. Bonds5

About 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 119734475) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID119734475
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Name1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCC(C)C[C@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O2/c1-12(2)11-16(20)17(24)23-9-7-15(8-10-23)22-18(25)21-14-5-3-13(19)4-6-14/h3-6,12,15-16H,7-11,20H2,1-2H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyVYIGRJUJGMBBEL-INIZCTEOSA-N
XLogP2.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310461
1-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788437
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 119734475) is 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is CC(C)C[C@H](N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is VYIGRJUJGMBBEL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-12(2)11-16(20)17(24)23-9-7-15(8-10-23)22-18(25)21-14-5-3-13(19)4-6-14/h3-6,12,15-16H,7-11,20H2,1-2H3,(H2,21,22,25)/t16-/m0/s1.
What are the key properties of 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 350.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 119734475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).