5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid

C22H26N2O2 — CID 68964276

IUPAC5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid
SMILESCC(CCC1CCN(c2ccc(C#N)c3ccccc23)CC1)CC(=O)O
InChIInChI=1S/C22H26N2O2/c1-16(14-22(25)26)6-7-17-10-12-24(13-11-17)21-9-8-18(15-23)19-4-2-3-5-20(19)21/h2-5,8-9,16-17H,6-7,10-14H2,1H3,(H,25,26)
InChIKeyODQSVBYNPCVLOT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.82
Rot. Bonds6

About 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid

5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid (PubChem CID 68964276) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid.

Molecular Properties

Compound Name5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid
PubChem CID68964276
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid
SMILESCC(CCC1CCN(c2ccc(C#N)c3ccccc23)CC1)CC(=O)O
InChIInChI=1S/C22H26N2O2/c1-16(14-22(25)26)6-7-17-10-12-24(13-11-17)21-9-8-18(15-23)19-4-2-3-5-20(19)21/h2-5,8-9,16-17H,6-7,10-14H2,1H3,(H,25,26)
InChIKeyODQSVBYNPCVLOT-UHFFFAOYSA-N
XLogP4.82
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
3-[1-(3-bromo-4-cyano-2-fluorophenyl)piperidin-4-yl]propanoic acid
CID 107532828
3-[1-(2-cyano-4-methylphenyl)piperidin-3-yl]butanoic acid
CID 107926723
1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
CID 11594114
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
2-(4-butylpiperidin-1-yl)benzonitrile
CID 18726974
1-(2-cyano-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 107926648
4-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
CID 10039323

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid?
The IUPAC name of 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid (CID 68964276) is 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid.
What is the SMILES notation for 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid?
The canonical SMILES for 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid is CC(CCC1CCN(c2ccc(C#N)c3ccccc23)CC1)CC(=O)O.
What is the InChIKey of 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid?
The InChIKey is ODQSVBYNPCVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(14-22(25)26)6-7-17-10-12-24(13-11-17)21-9-8-18(15-23)19-4-2-3-5-20(19)21/h2-5,8-9,16-17H,6-7,10-14H2,1H3,(H,25,26).
What are the key properties of 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid?
5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid has a molecular weight of 350.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid is sourced from PubChem (CID 68964276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).