N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C20H26N4O2 — CID 3070505

IUPACN-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10,16,25H,9,11-15H2,1H3,(H,22,26)
InChIKeyHTRSFGIHCRMLEE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds6

About N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3070505) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3070505
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10,16,25H,9,11-15H2,1H3,(H,22,26)
InChIKeyHTRSFGIHCRMLEE-UHFFFAOYSA-N
XLogP2.29
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one
CID 156613431
3,3,3-trifluoro-N-(2-((4-hydroxy-4-phenylcyclohexyl)methylamino)pyridin-3-yl)propanamide
CID 11596635
2-(dimethylamino)-N-[3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 24823021
2-(dimethylamino)-N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 44530120
4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
4-hydroxy-N-((1s,4s)-4-methylcyclohexyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735891
N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]acetamide
CID 164618028
N-(4-tert-butylphenyl)-4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]piperazine-1-carboxamide
CID 57770379
Acyclomirtazapine alcohol
CID 10221435
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-4-pyridinyl-, hydrate (5:3)
CID 54684618
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-3-pyridinyl-
CID 54684694

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3070505) is N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is HTRSFGIHCRMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10,16,25H,9,11-15H2,1H3,(H,22,26).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3070505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).