N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide

C24H31N3O3 — CID 86943270

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-18-7-4-5-9-21(18)17-23(28)26-11-13-27(14-12-26)24(29)25-19(2)15-20-8-6-10-22(16-20)30-3/h4-10,16,19H,11-15,17H2,1-3H3,(H,25,29)
InChIKeyZUKDABMNXXYDPA-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide

N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 86943270) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
PubChem CID86943270
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-18-7-4-5-9-21(18)17-23(28)26-11-13-27(14-12-26)24(29)25-19(2)15-20-8-6-10-22(16-20)30-3/h4-10,16,19H,11-15,17H2,1-3H3,(H,25,29)
InChIKeyZUKDABMNXXYDPA-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
CID 86953536
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 86943158
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 96532420
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
2-[(2-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 86943343

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide (CID 86943270) is N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide is COc1cccc(CC(C)NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is ZUKDABMNXXYDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-7-4-5-9-21(18)17-23(28)26-11-13-27(14-12-26)24(29)25-19(2)15-20-8-6-10-22(16-20)30-3/h4-10,16,19H,11-15,17H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide?
N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 86943270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).