4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide

C19H30N4O — CID 113110355

IUPAC4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-19(2,3)23-14-12-22(13-15-23)18(24)20-16-6-8-17(9-7-16)21-10-4-5-11-21/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeySISISSUGCYBLRT-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.23
Rot. Bonds2

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

4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113110355) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113110355
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-19(2,3)23-14-12-22(13-15-23)18(24)20-16-6-8-17(9-7-16)21-10-4-5-11-21/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeySISISSUGCYBLRT-UHFFFAOYSA-N
XLogP3.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide
CID 67414663

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (CID 113110355) is 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is SISISSUGCYBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-19(2,3)23-14-12-22(13-15-23)18(24)20-16-6-8-17(9-7-16)21-10-4-5-11-21/h6-9H,4-5,10-15H2,1-3H3,(H,20,24).
What are the key properties of 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).