1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide

C16H23N3O — CID 65463655

IUPAC1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c17-16(9-10-16)15(20)18-13-5-7-14(8-6-13)19-11-3-1-2-4-12-19/h5-8H,1-4,9-12,17H2,(H,18,20)
InChIKeyOZSOVOLZCKXSTA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds3

About 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide

1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 65463655) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID65463655
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C16H23N3O/c17-16(9-10-16)15(20)18-13-5-7-14(8-6-13)19-11-3-1-2-4-12-19/h5-8H,1-4,9-12,17H2,(H,18,20)
InChIKeyOZSOVOLZCKXSTA-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
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-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 115293891

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide (CID 65463655) is 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide is NC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OZSOVOLZCKXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(9-10-16)15(20)18-13-5-7-14(8-6-13)19-11-3-1-2-4-12-19/h5-8H,1-4,9-12,17H2,(H,18,20).
What are the key properties of 1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.50, 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-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65463655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).