4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide

C18H29N3O — CID 113076586

IUPAC4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)19-17(22)21-12-10-20(11-13-21)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyWZTTVBKKJZINSW-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.22
Rot. Bonds2

About 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113076586) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID113076586
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)19-17(22)21-12-10-20(11-13-21)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyWZTTVBKKJZINSW-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
CID 155748028
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propan-2-ylpropanamide
CID 108957222
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 113076586) is 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WZTTVBKKJZINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)19-17(22)21-12-10-20(11-13-21)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22).
What are the key properties of 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113076586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).