2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C22H26ClN5O — CID 60593019

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C22H26ClN5O/c1-16(27-10-12-28(13-11-27)21-7-6-18(23)15-26-21)22(29)24-9-8-17-14-25-20-5-3-2-4-19(17)20/h2-7,14-16,25H,8-13H2,1H3,(H,24,29)
InChIKeyJOIZDUPESYTIAW-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.09
Rot. Bonds6

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 60593019) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID60593019
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C22H26ClN5O/c1-16(27-10-12-28(13-11-27)21-7-6-18(23)15-26-21)22(29)24-9-8-17-14-25-20-5-3-2-4-19(17)20/h2-7,14-16,25H,8-13H2,1H3,(H,24,29)
InChIKeyJOIZDUPESYTIAW-UHFFFAOYSA-N
XLogP3.09
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60603404
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110997307
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 60593019) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is JOIZDUPESYTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-16(27-10-12-28(13-11-27)21-7-6-18(23)15-26-21)22(29)24-9-8-17-14-25-20-5-3-2-4-19(17)20/h2-7,14-16,25H,8-13H2,1H3,(H,24,29).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 411.94 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 60593019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).