4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid

C19H24N2O4 — CID 53318069

IUPAC4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N2O4/c22-18(23)6-3-9-21-10-7-14(8-11-21)13-25-19(24)16-12-20-17-5-2-1-4-15(16)17/h1-2,4-5,12,14,20H,3,6-11,13H2,(H,22,23)
InChIKeyKLCKNYYQLUGKAN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.90
Rot. Bonds7

About 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid

4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 53318069) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid
PubChem CID53318069
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N2O4/c22-18(23)6-3-9-21-10-7-14(8-11-21)13-25-19(24)16-12-20-17-5-2-1-4-15(16)17/h1-2,4-5,12,14,20H,3,6-11,13H2,(H,22,23)
InChIKeyKLCKNYYQLUGKAN-UHFFFAOYSA-N
XLogP2.90
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid (CID 53318069) is 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is KLCKNYYQLUGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18(23)6-3-9-21-10-7-14(8-11-21)13-25-19(24)16-12-20-17-5-2-1-4-15(16)17/h1-2,4-5,12,14,20H,3,6-11,13H2,(H,22,23).
What are the key properties of 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid?
4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 53318069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).