2-pentyl-1H-indole;piperazine-1-carboxamide

C18H28N4O — CID 174799325

IUPAC2-pentyl-1H-indole;piperazine-1-carboxamide
SMILESCCCCCc1cc2ccccc2[nH]1.NC(=O)N1CCNCC1
InChIInChI=1S/C13H17N.C5H11N3O/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;6-5(9)8-3-1-7-2-4-8/h5-7,9-10,14H,2-4,8H2,1H3;7H,1-4H2,(H2,6,9)
InChIKeyXFROAPBDCYDNGK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.87
Rot. Bonds4

About 2-pentyl-1H-indole;piperazine-1-carboxamide

2-pentyl-1H-indole;piperazine-1-carboxamide (PubChem CID 174799325) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-pentyl-1H-indole;piperazine-1-carboxamide.

Molecular Properties

Compound Name2-pentyl-1H-indole;piperazine-1-carboxamide
PubChem CID174799325
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-pentyl-1H-indole;piperazine-1-carboxamide
SMILESCCCCCc1cc2ccccc2[nH]1.NC(=O)N1CCNCC1
InChIInChI=1S/C13H17N.C5H11N3O/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;6-5(9)8-3-1-7-2-4-8/h5-7,9-10,14H,2-4,8H2,1H3;7H,1-4H2,(H2,6,9)
InChIKeyXFROAPBDCYDNGK-UHFFFAOYSA-N
XLogP2.87
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formamide;2-pentyl-1H-indole;piperazine
CID 174799337
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
8-(1H-indol-2-yl)octanoic acid
CID 54343320
2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
CID 116995172
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
2-undecyl-1H-indole-7-carboxylic acid
CID 12797255
butyl 2-dodecyl-1H-indole-6-carboxylate
CID 12799939
4-(1H-indol-2-yl)butan-2-one
CID 10954278
4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-indole;piperazine-1-carboxamide?
The IUPAC name of 2-pentyl-1H-indole;piperazine-1-carboxamide (CID 174799325) is 2-pentyl-1H-indole;piperazine-1-carboxamide.
What is the SMILES notation for 2-pentyl-1H-indole;piperazine-1-carboxamide?
The canonical SMILES for 2-pentyl-1H-indole;piperazine-1-carboxamide is CCCCCc1cc2ccccc2[nH]1.NC(=O)N1CCNCC1.
What is the InChIKey of 2-pentyl-1H-indole;piperazine-1-carboxamide?
The InChIKey is XFROAPBDCYDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C5H11N3O/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;6-5(9)8-3-1-7-2-4-8/h5-7,9-10,14H,2-4,8H2,1H3;7H,1-4H2,(H2,6,9).
What are the key properties of 2-pentyl-1H-indole;piperazine-1-carboxamide?
2-pentyl-1H-indole;piperazine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-indole;piperazine-1-carboxamide is sourced from PubChem (CID 174799325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).