4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C22H29N3O4 — CID 113108846

IUPAC4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4/c1-27-19-15-18(16-20(28-2)21(19)29-3)23-22(26)25-13-11-24(12-14-25)10-9-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,23,26)
InChIKeyBGKBHZLTBLMZLD-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.10
Rot. Bonds7

About 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113108846) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID113108846
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4/c1-27-19-15-18(16-20(28-2)21(19)29-3)23-22(26)25-13-11-24(12-14-25)10-9-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,23,26)
InChIKeyBGKBHZLTBLMZLD-UHFFFAOYSA-N
XLogP3.10
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 113108846) is 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BGKBHZLTBLMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-19-15-18(16-20(28-2)21(19)29-3)23-22(26)25-13-11-24(12-14-25)10-9-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,23,26).
What are the key properties of 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).