N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C21H31N5O2 — CID 113105921

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H31N5O2/c27-21(22-6-5-18-17-23-20-4-2-1-3-19(18)20)26-11-9-24(10-12-26)7-8-25-13-15-28-16-14-25/h1-4,17,23H,5-16H2,(H,22,27)
InChIKeyRSZPNBFKRRWNPF-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.37
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113105921) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113105921
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H31N5O2/c27-21(22-6-5-18-17-23-20-4-2-1-3-19(18)20)26-11-9-24(10-12-26)7-8-25-13-15-28-16-14-25/h1-4,17,23H,5-16H2,(H,22,27)
InChIKeyRSZPNBFKRRWNPF-UHFFFAOYSA-N
XLogP1.37
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110995758
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119065686
N-[2-(1H-indol-3-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341518

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113105921) is N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is RSZPNBFKRRWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c27-21(22-6-5-18-17-23-20-4-2-1-3-19(18)20)26-11-9-24(10-12-26)7-8-25-13-15-28-16-14-25/h1-4,17,23H,5-16H2,(H,22,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).