4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid

C23H28N4O4 — CID 91457388

IUPAC4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESCc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C23H28N4O4/c1-18-7-8-19(17-21(18)24-9-11-25(12-10-24)23(29)30)22(28)27(20-5-3-2-4-6-20)26-13-15-31-16-14-26/h2-8,17H,9-16H2,1H3,(H,29,30)
InChIKeyAJQQUTRLNRLBSN-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.69
Rot. Bonds4

About 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid

4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid (PubChem CID 91457388) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid
PubChem CID91457388
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESCc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C23H28N4O4/c1-18-7-8-19(17-21(18)24-9-11-25(12-10-24)23(29)30)22(28)27(20-5-3-2-4-6-20)26-13-15-31-16-14-26/h2-8,17H,9-16H2,1H3,(H,29,30)
InChIKeyAJQQUTRLNRLBSN-UHFFFAOYSA-N
XLogP2.69
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 91453461
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 91014188
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
CID 46977364
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid (CID 91457388) is 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid is Cc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid?
The InChIKey is AJQQUTRLNRLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-18-7-8-19(17-21(18)24-9-11-25(12-10-24)23(29)30)22(28)27(20-5-3-2-4-6-20)26-13-15-31-16-14-26/h2-8,17H,9-16H2,1H3,(H,29,30).
What are the key properties of 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid?
4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 91457388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).