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

C19H30N4O — CID 113103823

IUPAC4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-2-3-10-21-13-15-23(16-14-21)19(24)20-17-6-8-18(9-7-17)22-11-4-5-12-22/h6-9H,2-5,10-16H2,1H3,(H,20,24)
InChIKeyMLMUHQFOIPDAIH-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.24
Rot. Bonds5

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

4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113103823) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113103823
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-2-3-10-21-13-15-23(16-14-21)19(24)20-17-6-8-18(9-7-17)22-11-4-5-12-22/h6-9H,2-5,10-16H2,1H3,(H,20,24)
InChIKeyMLMUHQFOIPDAIH-UHFFFAOYSA-N
XLogP3.24
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.24
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-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
ethyl 4-[3-oxo-3-(4-piperidin-1-ylanilino)propyl]piperazine-1-carboxylate
CID 109029182
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (CID 113103823) is 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is CCCCN1CCN(C(=O)Nc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is MLMUHQFOIPDAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-3-10-21-13-15-23(16-14-21)19(24)20-17-6-8-18(9-7-17)22-11-4-5-12-22/h6-9H,2-5,10-16H2,1H3,(H,20,24).
What are the key properties of 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).