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

C16H25N3O2 — CID 43130632

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCNCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(19-11-9-17-10-12-19)16(20)18-8-7-14-3-5-15(21-2)6-4-14/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyPFYKYCKYPKDJIN-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.65
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 43130632) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID43130632
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCNCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(19-11-9-17-10-12-19)16(20)18-8-7-14-3-5-15(21-2)6-4-14/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyPFYKYCKYPKDJIN-UHFFFAOYSA-N
XLogP0.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43566424
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide (CID 43130632) is N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide is COc1ccc(CCNC(=O)C(C)N2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is PFYKYCKYPKDJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(19-11-9-17-10-12-19)16(20)18-8-7-14-3-5-15(21-2)6-4-14/h3-6,13,17H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).