N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C18H29N3O — CID 113110405

IUPACN-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-14(2)15-6-8-16(9-7-15)20-10-12-21(13-11-20)17(22)19-18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyBCGOIHKKZGABAU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.44
Rot. Bonds2

About N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide

N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113110405) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113110405
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-14(2)15-6-8-16(9-7-15)20-10-12-21(13-11-20)17(22)19-18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyBCGOIHKKZGABAU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 177267388
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
N-tert-butyl-4-[4-[[2-[2-methylpropanoyl(propan-2-yl)amino]acetyl]amino]phenyl]piperazine-1-carboxamide
CID 42677144
tert-butyl 4-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69450157
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113110405) is N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is BCGOIHKKZGABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)15-6-8-16(9-7-15)20-10-12-21(13-11-20)17(22)19-18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).