N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C20H26N4O2 — CID 17455607

IUPACN-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-18(20(25)22-16-7-9-17(26-2)10-8-16)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3,(H,22,25)
InChIKeyJHCLFDOUJVHFAF-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide

N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 17455607) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID17455607
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-18(20(25)22-16-7-9-17(26-2)10-8-16)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3,(H,22,25)
InChIKeyJHCLFDOUJVHFAF-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824521
3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
CID 103224487
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902638
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46444817
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 16576209

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 17455607) is N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide is CCC(C(=O)Nc1ccc(OC)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is JHCLFDOUJVHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-18(20(25)22-16-7-9-17(26-2)10-8-16)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 17455607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).