N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide

C20H33N3O — CID 113103376

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-14(2)17-8-7-9-18(15(3)4)19(17)21-20(24)23-12-10-22(11-13-23)16(5)6/h7-9,14-16H,10-13H2,1-6H3,(H,21,24)
InChIKeyCTWXIHMFHHNSFZ-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.49
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113103376) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID113103376
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-14(2)17-8-7-9-18(15(3)4)19(17)21-20(24)23-12-10-22(11-13-23)16(5)6/h7-9,14-16H,10-13H2,1-6H3,(H,21,24)
InChIKeyCTWXIHMFHHNSFZ-UHFFFAOYSA-N
XLogP4.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 139083857
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112569
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
1-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4259278

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide (CID 113103376) is N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is CTWXIHMFHHNSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-14(2)17-8-7-9-18(15(3)4)19(17)21-20(24)23-12-10-22(11-13-23)16(5)6/h7-9,14-16H,10-13H2,1-6H3,(H,21,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 331.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113103376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).