1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

C15H21N3O — CID 81178816

IUPAC1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1
InChIInChI=1S/C15H21N3O/c16-15(8-3-9-15)14(19)17-12-4-6-13(7-5-12)18-10-1-2-11-18/h4-7H,1-3,8-11,16H2,(H,17,19)
InChIKeyBKDGEUTXYFHLSY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds3

About 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 81178816) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
PubChem CID81178816
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1
InChIInChI=1S/C15H21N3O/c16-15(8-3-9-15)14(19)17-12-4-6-13(7-5-12)18-10-1-2-11-18/h4-7H,1-3,8-11,16H2,(H,17,19)
InChIKeyBKDGEUTXYFHLSY-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81179461
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 115293891
4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 126817334

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (CID 81178816) is 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1.
What is the InChIKey of 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is BKDGEUTXYFHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(8-3-9-15)14(19)17-12-4-6-13(7-5-12)18-10-1-2-11-18/h4-7H,1-3,8-11,16H2,(H,17,19).
What are the key properties of 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81178816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).