4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid

C18H24F2N2O3 — CID 122027602

IUPAC4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1(F)F
InChIInChI=1S/C18H24F2N2O3/c1-13-12-22(10-9-18(13,19)20)17(25)21-15(7-8-16(23)24)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyDJBBSXRCCZXDND-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.15
Rot. Bonds6

About 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid

4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122027602) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122027602
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1(F)F
InChIInChI=1S/C18H24F2N2O3/c1-13-12-22(10-9-18(13,19)20)17(25)21-15(7-8-16(23)24)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyDJBBSXRCCZXDND-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-[[3-(hydroxymethyl)-3-propylpyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027615
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[[3-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027435
4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027723
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028070

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid (CID 122027602) is 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid is CC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1(F)F.
What is the InChIKey of 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is DJBBSXRCCZXDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-13-12-22(10-9-18(13,19)20)17(25)21-15(7-8-16(23)24)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid?
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 354.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).