3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C22H30N4O2 — CID 109026014

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C22H30N4O2/c1-24(13-9-19-7-11-23-12-8-19)22(27)10-14-25-15-17-26(18-16-25)20-5-3-4-6-21(20)28-2/h3-8,11-12H,9-10,13-18H2,1-2H3
InChIKeyURZZPXYYUUNIGK-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.30
Rot. Bonds8

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109026014) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109026014
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C22H30N4O2/c1-24(13-9-19-7-11-23-12-8-19)22(27)10-14-25-15-17-26(18-16-25)20-5-3-4-6-21(20)28-2/h3-8,11-12H,9-10,13-18H2,1-2H3
InChIKeyURZZPXYYUUNIGK-UHFFFAOYSA-N
XLogP2.30
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026004
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-N-methylbutanamide
CID 141090916
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]-1-methylcyclohexane-1-carboxamide
CID 11236296
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 109026014) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is COc1ccccc1N1CCN(CCC(=O)N(C)CCc2ccncc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is URZZPXYYUUNIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(13-9-19-7-11-23-12-8-19)22(27)10-14-25-15-17-26(18-16-25)20-5-3-4-6-21(20)28-2/h3-8,11-12H,9-10,13-18H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109026014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).