N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide

C15H23N3O2 — CID 43089556

IUPACN-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-12(18-9-7-16-8-10-18)15(19)17-11-13-3-5-14(20-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyPNPJSSLCZCIOIQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.61
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide

N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 43089556) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID43089556
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCNCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-12(18-9-7-16-8-10-18)15(19)17-11-13-3-5-14(20-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyPNPJSSLCZCIOIQ-UHFFFAOYSA-N
XLogP0.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 11931788
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9258253
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide (CID 43089556) is N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide is COc1ccc(CNC(=O)C(C)N2CCNCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is PNPJSSLCZCIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(18-9-7-16-8-10-18)15(19)17-11-13-3-5-14(20-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide?
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43089556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).