N-(1H-indol-6-yl)cycloheptanecarboxamide

C16H20N2O — CID 154864355

IUPACN-(1H-indol-6-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)C1CCCCCC1
InChIInChI=1S/C16H20N2O/c19-16(13-5-3-1-2-4-6-13)18-14-8-7-12-9-10-17-15(12)11-14/h7-11,13,17H,1-6H2,(H,18,19)
InChIKeyBICJDYASWAEUJN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.08
Rot. Bonds2

About N-(1H-indol-6-yl)cycloheptanecarboxamide

N-(1H-indol-6-yl)cycloheptanecarboxamide (PubChem CID 154864355) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1H-indol-6-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)cycloheptanecarboxamide
PubChem CID154864355
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(1H-indol-6-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)C1CCCCCC1
InChIInChI=1S/C16H20N2O/c19-16(13-5-3-1-2-4-6-13)18-14-8-7-12-9-10-17-15(12)11-14/h7-11,13,17H,1-6H2,(H,18,19)
InChIKeyBICJDYASWAEUJN-UHFFFAOYSA-N
XLogP4.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-cyclohexyl-1H-indol-6-amine
CID 139269794
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
CID 19058101
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1H-indol-6-yl)cycloheptanecarboxamide (CID 154864355) is N-(1H-indol-6-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1H-indol-6-yl)cycloheptanecarboxamide is O=C(Nc1ccc2cc[nH]c2c1)C1CCCCCC1.
What is the InChIKey of N-(1H-indol-6-yl)cycloheptanecarboxamide?
The InChIKey is BICJDYASWAEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(13-5-3-1-2-4-6-13)18-14-8-7-12-9-10-17-15(12)11-14/h7-11,13,17H,1-6H2,(H,18,19).
What are the key properties of N-(1H-indol-6-yl)cycloheptanecarboxamide?
N-(1H-indol-6-yl)cycloheptanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)cycloheptanecarboxamide is sourced from PubChem (CID 154864355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).