5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid

C19H28N2O3 — CID 21467264

IUPAC5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid
SMILESCCCCN1CCC(Cc2ncc(C(=O)O)c3c2CCCO3)CC1
InChIInChI=1S/C19H28N2O3/c1-2-3-8-21-9-6-14(7-10-21)12-17-15-5-4-11-24-18(15)16(13-20-17)19(22)23/h13-14H,2-12H2,1H3,(H,22,23)
InChIKeyYGCDIFSZNWUPEL-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.16
Rot. Bonds6

About 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid

5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid (PubChem CID 21467264) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid
PubChem CID21467264
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid
SMILESCCCCN1CCC(Cc2ncc(C(=O)O)c3c2CCCO3)CC1
InChIInChI=1S/C19H28N2O3/c1-2-3-8-21-9-6-14(7-10-21)12-17-15-5-4-11-24-18(15)16(13-20-17)19(22)23/h13-14H,2-12H2,1H3,(H,22,23)
InChIKeyYGCDIFSZNWUPEL-UHFFFAOYSA-N
XLogP3.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid?
The IUPAC name of 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid (CID 21467264) is 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid?
The canonical SMILES for 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid is CCCCN1CCC(Cc2ncc(C(=O)O)c3c2CCCO3)CC1.
What is the InChIKey of 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid?
The InChIKey is YGCDIFSZNWUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-3-8-21-9-6-14(7-10-21)12-17-15-5-4-11-24-18(15)16(13-20-17)19(22)23/h13-14H,2-12H2,1H3,(H,22,23).
What are the key properties of 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid?
5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid is sourced from PubChem (CID 21467264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).