1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide

C17H20N4O — CID 649356

IUPAC1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21
InChIInChI=1S/C17H20N4O/c1-20-15-5-3-2-4-13(15)14(10-18)16(20)11-21-8-6-12(7-9-21)17(19)22/h2-5,12H,6-9,11H2,1H3,(H2,19,22)
InChIKeyXKLFCEMHHDNAPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide

1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 649356) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID649356
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21
InChIInChI=1S/C17H20N4O/c1-20-15-5-3-2-4-13(15)14(10-18)16(20)11-21-8-6-12(7-9-21)17(19)22/h2-5,12H,6-9,11H2,1H3,(H2,19,22)
InChIKeyXKLFCEMHHDNAPE-UHFFFAOYSA-N
XLogP1.75
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide (CID 649356) is 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide is Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21.
What is the InChIKey of 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is XKLFCEMHHDNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-15-5-3-2-4-13(15)14(10-18)16(20)11-21-8-6-12(7-9-21)17(19)22/h2-5,12H,6-9,11H2,1H3,(H2,19,22).
What are the key properties of 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 649356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).