4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide

C18H25ClN4O — CID 75515902

IUPAC4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-2-20-18(24)23-9-6-15(7-10-23)21-8-5-13-12-22-17-11-14(19)3-4-16(13)17/h3-4,11-12,15,21-22H,2,5-10H2,1H3,(H,20,24)
InChIKeyHQMPXHFQTABOIN-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide

4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide (PubChem CID 75515902) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide
PubChem CID75515902
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCc2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-2-20-18(24)23-9-6-15(7-10-23)21-8-5-13-12-22-17-11-14(19)3-4-16(13)17/h3-4,11-12,15,21-22H,2,5-10H2,1H3,(H,20,24)
InChIKeyHQMPXHFQTABOIN-UHFFFAOYSA-N
XLogP3.15
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide (CID 75515902) is 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(NCCc2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide?
The InChIKey is HQMPXHFQTABOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-2-20-18(24)23-9-6-15(7-10-23)21-8-5-13-12-22-17-11-14(19)3-4-16(13)17/h3-4,11-12,15,21-22H,2,5-10H2,1H3,(H,20,24).
What are the key properties of 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide?
4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide has a molecular weight of 348.88 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-1H-indol-3-yl)ethylamino]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 75515902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).