1H-indol-3-yl(piperidin-4-yl)methanone

C14H16N2O — CID 21344

IUPAC1H-indol-3-yl(piperidin-4-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCNCC1
InChIInChI=1S/C14H16N2O/c17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,15-16H,5-8H2
InChIKeyCKXVQPZQTVVCCB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds2

About 1H-indol-3-yl(piperidin-4-yl)methanone

1H-indol-3-yl(piperidin-4-yl)methanone (PubChem CID 21344) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1H-indol-3-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(piperidin-4-yl)methanone
PubChem CID21344
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1H-indol-3-yl(piperidin-4-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCNCC1
InChIInChI=1S/C14H16N2O/c17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,15-16H,5-8H2
InChIKeyCKXVQPZQTVVCCB-UHFFFAOYSA-N
XLogP2.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
Indalpine
CID 44668
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
3-(Hydroxyacetyl)Indole
CID 200631
Indole-3-acetamide
CID 397
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(piperidin-4-yl)methanone?
The IUPAC name of 1H-indol-3-yl(piperidin-4-yl)methanone (CID 21344) is 1H-indol-3-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(piperidin-4-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(piperidin-4-yl)methanone is O=C(c1c[nH]c2ccccc12)C1CCNCC1.
What is the InChIKey of 1H-indol-3-yl(piperidin-4-yl)methanone?
The InChIKey is CKXVQPZQTVVCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,15-16H,5-8H2.
What are the key properties of 1H-indol-3-yl(piperidin-4-yl)methanone?
1H-indol-3-yl(piperidin-4-yl)methanone has a molecular weight of 228.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 21344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).