N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide

C20H33N5O2 — CID 53186075

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
SMILESCCN1CCN(CCNC(=O)CCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-23-9-11-24(12-10-23)8-7-22-20(26)4-3-18-5-6-21-19(17-18)25-13-15-27-16-14-25/h5-6,17H,2-4,7-16H2,1H3,(H,22,26)
InChIKeyKKKZOBRMLHINOU-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.60
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide (PubChem CID 53186075) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
PubChem CID53186075
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
SMILESCCN1CCN(CCNC(=O)CCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-23-9-11-24(12-10-23)8-7-22-20(26)4-3-18-5-6-21-19(17-18)25-13-15-27-16-14-25/h5-6,17H,2-4,7-16H2,1H3,(H,22,26)
InChIKeyKKKZOBRMLHINOU-UHFFFAOYSA-N
XLogP0.60
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide
CID 53186190
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186208
N-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186023
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
3-[2-(diethylamino)-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53186109
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53185937
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide (CID 53186075) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide is CCN1CCN(CCNC(=O)CCc2ccnc(N3CCOCC3)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The InChIKey is KKKZOBRMLHINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-23-9-11-24(12-10-23)8-7-22-20(26)4-3-18-5-6-21-19(17-18)25-13-15-27-16-14-25/h5-6,17H,2-4,7-16H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide has a molecular weight of 375.52 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide is sourced from PubChem (CID 53186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).