N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide

C19H31N3O — CID 113103888

IUPACN-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-6-11-20-18(23)22-14-12-21(13-15-22)17-10-8-7-9-16(17)19(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,20,23)
InChIKeyBOWMPHNRIKQKOH-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.62
Rot. Bonds4

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

N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide (PubChem CID 113103888) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
PubChem CID113103888
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-5-6-11-20-18(23)22-14-12-21(13-15-22)17-10-8-7-9-16(17)19(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,20,23)
InChIKeyBOWMPHNRIKQKOH-UHFFFAOYSA-N
XLogP3.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-butyl-4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103935
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-butyl-4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxamide
CID 7211138

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide (CID 113103888) is N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide?
The InChIKey is BOWMPHNRIKQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-6-11-20-18(23)22-14-12-21(13-15-22)17-10-8-7-9-16(17)19(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,20,23).
What are the key properties of N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide?
N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).