4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide

C19H27N3O2 — CID 111424917

IUPAC4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
SMILESCCCn1ccc2cc(NC(=O)N3CCC(C(C)O)CC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-3-9-21-10-8-16-13-17(4-5-18(16)21)20-19(24)22-11-6-15(7-12-22)14(2)23/h4-5,8,10,13-15,23H,3,6-7,9,11-12H2,1-2H3,(H,20,24)
InChIKeyZZIYLZFTNFMLFC-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.68
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide (PubChem CID 111424917) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
PubChem CID111424917
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
SMILESCCCn1ccc2cc(NC(=O)N3CCC(C(C)O)CC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-3-9-21-10-8-16-13-17(4-5-18(16)21)20-19(24)22-11-6-15(7-12-22)14(2)23/h4-5,8,10,13-15,23H,3,6-7,9,11-12H2,1-2H3,(H,20,24)
InChIKeyZZIYLZFTNFMLFC-UHFFFAOYSA-N
XLogP3.68
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide (CID 111424917) is 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide is CCCn1ccc2cc(NC(=O)N3CCC(C(C)O)CC3)ccc21.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZZIYLZFTNFMLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-9-21-10-8-16-13-17(4-5-18(16)21)20-19(24)22-11-6-15(7-12-22)14(2)23/h4-5,8,10,13-15,23H,3,6-7,9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111424917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).