N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide

C16H23N3O — CID 113015663

IUPACN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
SMILESCC1CCCN(c2ccc(NC(=O)C3CCC3)cn2)C1
InChIInChI=1S/C16H23N3O/c1-12-4-3-9-19(11-12)15-8-7-14(10-17-15)18-16(20)13-5-2-6-13/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyPONRWDQPQMGOTN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds3

About N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide

N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113015663) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113015663
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
SMILESCC1CCCN(c2ccc(NC(=O)C3CCC3)cn2)C1
InChIInChI=1S/C16H23N3O/c1-12-4-3-9-19(11-12)15-8-7-14(10-17-15)18-16(20)13-5-2-6-13/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyPONRWDQPQMGOTN-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide (CID 113015663) is N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide is CC1CCCN(c2ccc(NC(=O)C3CCC3)cn2)C1.
What is the InChIKey of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is PONRWDQPQMGOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-4-3-9-19(11-12)15-8-7-14(10-17-15)18-16(20)13-5-2-6-13/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,18,20).
What are the key properties of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide?
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113015663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).