N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C22H29N3O4 — CID 1149684

IUPACN-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H29N3O4/c1-27-18-14-17(15-19(16-18)28-2)23-22(26)8-9-24-10-12-25(13-11-24)20-6-4-5-7-21(20)29-3/h4-7,14-16H,8-13H2,1-3H3,(H,23,26)
InChIKeyHBEIZXVFPCJMJO-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.86
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 1149684) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID1149684
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H29N3O4/c1-27-18-14-17(15-19(16-18)28-2)23-22(26)8-9-24-10-12-25(13-11-24)20-6-4-5-7-21(20)29-3/h4-7,14-16H,8-13H2,1-3H3,(H,23,26)
InChIKeyHBEIZXVFPCJMJO-UHFFFAOYSA-N
XLogP2.86
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
CID 91830184
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 33397551
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
CID 162673635

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 1149684) is N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1cc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is HBEIZXVFPCJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-18-14-17(15-19(16-18)28-2)23-22(26)8-9-24-10-12-25(13-11-24)20-6-4-5-7-21(20)29-3/h4-7,14-16H,8-13H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1149684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).