2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid

C18H18N2O2 — CID 68711598

IUPAC2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
SMILESN#Cc1ccc(N2CCC(CC(=O)O)CC2)c2ccccc12
InChIInChI=1S/C18H18N2O2/c19-12-14-5-6-17(16-4-2-1-3-15(14)16)20-9-7-13(8-10-20)11-18(21)22/h1-6,13H,7-11H2,(H,21,22)
InChIKeyNMTCBIAISDNVTF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid

2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid (PubChem CID 68711598) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
PubChem CID68711598
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
SMILESN#Cc1ccc(N2CCC(CC(=O)O)CC2)c2ccccc12
InChIInChI=1S/C18H18N2O2/c19-12-14-5-6-17(16-4-2-1-3-15(14)16)20-9-7-13(8-10-20)11-18(21)22/h1-6,13H,7-11H2,(H,21,22)
InChIKeyNMTCBIAISDNVTF-UHFFFAOYSA-N
XLogP3.40
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]-3-methylpentanoic acid
CID 68964276
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
2-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]acetic acid
CID 79608348
2-[1-(2-cyanophenyl)azetidin-3-yl]acetic acid
CID 64617866
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319
2-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158047653
2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66879804
1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
CID 11594114
3-[1-(3-bromo-4-cyano-2-fluorophenyl)piperidin-4-yl]propanoic acid
CID 107532828
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid (CID 68711598) is 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid is N#Cc1ccc(N2CCC(CC(=O)O)CC2)c2ccccc12.
What is the InChIKey of 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid?
The InChIKey is NMTCBIAISDNVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-12-14-5-6-17(16-4-2-1-3-15(14)16)20-9-7-13(8-10-20)11-18(21)22/h1-6,13H,7-11H2,(H,21,22).
What are the key properties of 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid?
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 68711598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).