1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide

C16H18ClN3O2 — CID 4619062

IUPAC1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H18ClN3O2/c1-19-13-3-2-12(17)8-11(13)9-14(19)16(22)20-6-4-10(5-7-20)15(18)21/h2-3,8-10H,4-7H2,1H3,(H2,18,21)
InChIKeyFFCSJSLKDCBFQM-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide

1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 4619062) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
PubChem CID4619062
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H18ClN3O2/c1-19-13-3-2-12(17)8-11(13)9-14(19)16(22)20-6-4-10(5-7-20)15(18)21/h2-3,8-10H,4-7H2,1H3,(H2,18,21)
InChIKeyFFCSJSLKDCBFQM-UHFFFAOYSA-N
XLogP2.17
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide (CID 4619062) is 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide is Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FFCSJSLKDCBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-13-3-2-12(17)8-11(13)9-14(19)16(22)20-6-4-10(5-7-20)15(18)21/h2-3,8-10H,4-7H2,1H3,(H2,18,21).
What are the key properties of 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 4619062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).