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

C18H30N4O — CID 174799337

IUPACformamide;2-pentyl-1H-indole;piperazine
SMILESC1CNCCN1.CCCCCc1cc2ccccc2[nH]1.NC=O
InChIInChI=1S/C13H17N.C4H10N2.CH3NO/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;1-2-6-4-3-5-1;2-1-3/h5-7,9-10,14H,2-4,8H2,1H3;5-6H,1-4H2;1H,(H2,2,3)
InChIKeyQZEALKXIRMPJJM-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.18
Rot. Bonds4

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

formamide;2-pentyl-1H-indole;piperazine (PubChem CID 174799337) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is formamide;2-pentyl-1H-indole;piperazine.

Molecular Properties

Compound Nameformamide;2-pentyl-1H-indole;piperazine
PubChem CID174799337
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Nameformamide;2-pentyl-1H-indole;piperazine
SMILESC1CNCCN1.CCCCCc1cc2ccccc2[nH]1.NC=O
InChIInChI=1S/C13H17N.C4H10N2.CH3NO/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;1-2-6-4-3-5-1;2-1-3/h5-7,9-10,14H,2-4,8H2,1H3;5-6H,1-4H2;1H,(H2,2,3)
InChIKeyQZEALKXIRMPJJM-UHFFFAOYSA-N
XLogP2.18
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-pentyl-1H-indole;piperazine-1-carboxamide
CID 174799325
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
2-octyl-5-phenyl-1H-indole
CID 134909135
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
8-(1H-indol-2-yl)octanoic acid
CID 54343320
2-(3-chloropropyl)-1H-indole
CID 13271043
2-(4-methylpentyl)-1H-indole
CID 18761636
6-bromo-2-octyl-1H-indole
CID 86224131

Frequently Asked Questions

What is the IUPAC name of formamide;2-pentyl-1H-indole;piperazine?
The IUPAC name of formamide;2-pentyl-1H-indole;piperazine (CID 174799337) is formamide;2-pentyl-1H-indole;piperazine.
What is the SMILES notation for formamide;2-pentyl-1H-indole;piperazine?
The canonical SMILES for formamide;2-pentyl-1H-indole;piperazine is C1CNCCN1.CCCCCc1cc2ccccc2[nH]1.NC=O.
What is the InChIKey of formamide;2-pentyl-1H-indole;piperazine?
The InChIKey is QZEALKXIRMPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C4H10N2.CH3NO/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12;1-2-6-4-3-5-1;2-1-3/h5-7,9-10,14H,2-4,8H2,1H3;5-6H,1-4H2;1H,(H2,2,3).
What are the key properties of formamide;2-pentyl-1H-indole;piperazine?
formamide;2-pentyl-1H-indole;piperazine has a molecular weight of 318.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-pentyl-1H-indole;piperazine is sourced from PubChem (CID 174799337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).