N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide

C19H29N3O3 — CID 110813014

IUPACN-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-19(24)22-11-9-21(10-12-22)18(23)13-16-5-7-17(8-6-16)25-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H,20,24)
InChIKeyHHEWGPISRAIZSB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.28
Rot. Bonds5

About N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide

N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110813014) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110813014
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-19(24)22-11-9-21(10-12-22)18(23)13-16-5-7-17(8-6-16)25-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H,20,24)
InChIKeyHHEWGPISRAIZSB-UHFFFAOYSA-N
XLogP2.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
CID 98019320
3,3-dimethyl-1-[4-[2-(4-propan-2-yloxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809560
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 110809986
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide (CID 110813014) is N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is HHEWGPISRAIZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)20-19(24)22-11-9-21(10-12-22)18(23)13-16-5-7-17(8-6-16)25-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H,20,24).
What are the key properties of N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).