[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid

C19H22N4O3 — CID 67130428

IUPAC[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1
InChIInChI=1S/C19H22N4O3/c1-22(19(25)26)15-8-10-23(11-9-15)17-7-3-6-16(21-17)13-4-2-5-14(12-13)18(20)24/h2-7,12,15H,8-11H2,1H3,(H2,20,24)(H,25,26)
InChIKeyCPGBTFJMYDEAAH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.43
Rot. Bonds4

About [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid

[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 67130428) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID67130428
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1
InChIInChI=1S/C19H22N4O3/c1-22(19(25)26)15-8-10-23(11-9-15)17-7-3-6-16(21-17)13-4-2-5-14(12-13)18(20)24/h2-7,12,15H,8-11H2,1H3,(H2,20,24)(H,25,26)
InChIKeyCPGBTFJMYDEAAH-UHFFFAOYSA-N
XLogP2.43
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid (CID 67130428) is [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1.
What is the InChIKey of [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is CPGBTFJMYDEAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(19(25)26)15-8-10-23(11-9-15)17-7-3-6-16(21-17)13-4-2-5-14(12-13)18(20)24/h2-7,12,15H,8-11H2,1H3,(H2,20,24)(H,25,26).
What are the key properties of [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 354.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67130428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).