N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide

C18H26ClN5O3 — CID 55494146

IUPACN-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccnc1Cl)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H26ClN5O3/c1-14(18(26)21-15-3-2-4-20-17(15)19)23-5-7-24(8-6-23)16(25)13-22-9-11-27-12-10-22/h2-4,14H,5-13H2,1H3,(H,21,26)
InChIKeyJPWUJOWIQYGPKY-UHFFFAOYSA-N
MW395.89 g/mol
LogP0.54
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide

N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide (PubChem CID 55494146) has the molecular formula C18H26ClN5O3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
PubChem CID55494146
Molecular FormulaC18H26ClN5O3
Molecular Weight395.89 g/mol
Exact Mass395.17
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccnc1Cl)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H26ClN5O3/c1-14(18(26)21-15-3-2-4-20-17(15)19)23-5-7-24(8-6-23)16(25)13-22-9-11-27-12-10-22/h2-4,14H,5-13H2,1H3,(H,21,26)
InChIKeyJPWUJOWIQYGPKY-UHFFFAOYSA-N
XLogP0.54
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497048
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
(2S)-N-(4-bromo-2-fluorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 30735387
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430826
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide (CID 55494146) is N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cccnc1Cl)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The InChIKey is JPWUJOWIQYGPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O3/c1-14(18(26)21-15-3-2-4-20-17(15)19)23-5-7-24(8-6-23)16(25)13-22-9-11-27-12-10-22/h2-4,14H,5-13H2,1H3,(H,21,26).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide has a molecular weight of 395.89 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55494146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).