methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

C19H23N3O2 — CID 67130546

IUPACmethyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESCc1cccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-3-6-15(13-14)17-7-4-8-18(20-17)22-11-9-16(10-12-22)21(2)19(23)24/h3-8,13,16H,9-12H2,1-2H3,(H,23,24)
InChIKeyFWFHVMNVIZJHJJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.64
Rot. Bonds3

About methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 67130546) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID67130546
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namemethyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESCc1cccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-3-6-15(13-14)17-7-4-8-18(20-17)22-11-9-16(10-12-22)21(2)19(23)24/h3-8,13,16H,9-12H2,1-2H3,(H,23,24)
InChIKeyFWFHVMNVIZJHJJ-UHFFFAOYSA-N
XLogP3.64
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (CID 67130546) is methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is Cc1cccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)c1.
What is the InChIKey of methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is FWFHVMNVIZJHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-3-6-15(13-14)17-7-4-8-18(20-17)22-11-9-16(10-12-22)21(2)19(23)24/h3-8,13,16H,9-12H2,1-2H3,(H,23,24).
What are the key properties of methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 325.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67130546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).