N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide

C15H23N3O2 — CID 28807979

IUPACN-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-12-3-4-14(20-2)13(11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyBYGNFXDMHHTVRN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide

N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide (PubChem CID 28807979) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
PubChem CID28807979
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-12-3-4-14(20-2)13(11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyBYGNFXDMHHTVRN-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide (CID 28807979) is N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide is COc1ccc(C)cc1NC(=O)CCN1CCNCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide?
The InChIKey is BYGNFXDMHHTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-3-4-14(20-2)13(11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide?
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 28807979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).