(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate

C19H26N2O2 — CID 10852772

IUPAC(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
SMILESCCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3
InChIKeyDEWPDCSLWTYBEZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.84
Rot. Bonds6

About (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate

(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate (PubChem CID 10852772) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
PubChem CID10852772
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
SMILESCCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3
InChIKeyDEWPDCSLWTYBEZ-UHFFFAOYSA-N
XLogP3.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate?
The IUPAC name of (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate (CID 10852772) is (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate.
What is the SMILES notation for (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate?
The canonical SMILES for (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate is CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate?
The InChIKey is DEWPDCSLWTYBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3.
What are the key properties of (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate?
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 10852772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).