4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide

C24H32N4O3 — CID 24730622

IUPAC4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2C(=O)NCCN(C)C)c1
InChIInChI=1S/C24H32N4O3/c1-26(2)13-12-25-23(29)22-18-27(17-19-8-5-4-6-9-19)14-15-28(22)24(30)20-10-7-11-21(16-20)31-3/h4-11,16,22H,12-15,17-18H2,1-3H3,(H,25,29)
InChIKeyVPKLTFGWQODVOF-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.70
Rot. Bonds8

About 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide

4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide (PubChem CID 24730622) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
PubChem CID24730622
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2C(=O)NCCN(C)C)c1
InChIInChI=1S/C24H32N4O3/c1-26(2)13-12-25-23(29)22-18-27(17-19-8-5-4-6-9-19)14-15-28(22)24(30)20-10-7-11-21(16-20)31-3/h4-11,16,22H,12-15,17-18H2,1-3H3,(H,25,29)
InChIKeyVPKLTFGWQODVOF-UHFFFAOYSA-N
XLogP1.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide
CID 24730629
N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(3S)-N-[2-(dimethylamino)ethyl]-8-(3-methoxybenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138103
8-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 46141232
4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide
CID 24733035
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
(2S)-4-benzyl-2-[fluoro-(3-methoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68986963
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide (CID 24730622) is 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide is COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2C(=O)NCCN(C)C)c1.
What is the InChIKey of 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide?
The InChIKey is VPKLTFGWQODVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-26(2)13-12-25-23(29)22-18-27(17-19-8-5-4-6-9-19)14-15-28(22)24(30)20-10-7-11-21(16-20)31-3/h4-11,16,22H,12-15,17-18H2,1-3H3,(H,25,29).
What are the key properties of 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide?
4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide is sourced from PubChem (CID 24730622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).