1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide

C19H25N3O3 — CID 71895157

IUPAC1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCOc1ccc2cc(C(=O)N3CCCC(C(N)=O)C3)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c1-2-3-9-25-15-7-6-13-10-17(21-16(13)11-15)19(24)22-8-4-5-14(12-22)18(20)23/h6-7,10-11,14,21H,2-5,8-9,12H2,1H3,(H2,20,23)
InChIKeyLCKRLWZELJJOQA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.68
Rot. Bonds6

About 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide

1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 71895157) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
PubChem CID71895157
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCOc1ccc2cc(C(=O)N3CCCC(C(N)=O)C3)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c1-2-3-9-25-15-7-6-13-10-17(21-16(13)11-15)19(24)22-8-4-5-14(12-22)18(20)23/h6-7,10-11,14,21H,2-5,8-9,12H2,1H3,(H2,20,23)
InChIKeyLCKRLWZELJJOQA-UHFFFAOYSA-N
XLogP2.68
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-butoxybenzoate
CID 9492270
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 7578621
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
(6-butoxy-1H-indol-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 47041147
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248

Frequently Asked Questions

What is the IUPAC name of 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide (CID 71895157) is 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide is CCCCOc1ccc2cc(C(=O)N3CCCC(C(N)=O)C3)[nH]c2c1.
What is the InChIKey of 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is LCKRLWZELJJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-3-9-25-15-7-6-13-10-17(21-16(13)11-15)19(24)22-8-4-5-14(12-22)18(20)23/h6-7,10-11,14,21H,2-5,8-9,12H2,1H3,(H2,20,23).
What are the key properties of 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide?
1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 71895157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).