N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

C15H20N2O — CID 41491961

IUPACN-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCC1
InChIInChI=1S/C15H20N2O/c18-15(12-4-3-5-12)16-13-6-8-14(9-7-13)17-10-1-2-11-17/h6-9,12H,1-5,10-11H2,(H,16,18)
InChIKeyBYVNUUCWJAOTDD-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (PubChem CID 41491961) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
PubChem CID41491961
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCC1
InChIInChI=1S/C15H20N2O/c18-15(12-4-3-5-12)16-13-6-8-14(9-7-13)17-10-1-2-11-17/h6-9,12H,1-5,10-11H2,(H,16,18)
InChIKeyBYVNUUCWJAOTDD-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)oxane-4-carboxamide
CID 30795120
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (CID 41491961) is N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The InChIKey is BYVNUUCWJAOTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(12-4-3-5-12)16-13-6-8-14(9-7-13)17-10-1-2-11-17/h6-9,12H,1-5,10-11H2,(H,16,18).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 41491961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).