N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide

C18H29N3O — CID 113103174

IUPACN-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-5-10-20-11-13-21(14-12-20)17(22)19-16-9-7-6-8-15(16)18(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,19,22)
InChIKeyBYZWKOHEIOVQQY-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.54
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide

N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide (PubChem CID 113103174) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
PubChem CID113103174
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-5-10-20-11-13-21(14-12-20)17(22)19-16-9-7-6-8-15(16)18(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,19,22)
InChIKeyBYZWKOHEIOVQQY-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 3849424
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108148
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
N-(2-tert-butylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113112648
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-(2-tert-butylphenyl)-1-propylazepan-4-amine
CID 65074700

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide (CID 113103174) is N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide?
The InChIKey is BYZWKOHEIOVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-10-20-11-13-21(14-12-20)17(22)19-16-9-7-6-8-15(16)18(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,19,22).
What are the key properties of N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide?
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).