1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride

C16H25Cl2N3O — CID 119857471

IUPAC1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(N3CCCC3)c2)CCCC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(8-1-2-9-16)15(20)18-13-6-5-7-14(12-13)19-10-3-4-11-19;;/h5-7,12H,1-4,8-11,17H2,(H,18,20);2*1H
InChIKeyZPVXELZRGXLQAF-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.34
Rot. Bonds3

About 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119857471) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119857471
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(N3CCCC3)c2)CCCC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(8-1-2-9-16)15(20)18-13-6-5-7-14(12-13)19-10-3-4-11-19;;/h5-7,12H,1-4,8-11,17H2,(H,18,20);2*1H
InChIKeyZPVXELZRGXLQAF-UHFFFAOYSA-N
XLogP3.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119857471) is 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2cccc(N3CCCC3)c2)CCCC1.
What is the InChIKey of 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ZPVXELZRGXLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c17-16(8-1-2-9-16)15(20)18-13-6-5-7-14(12-13)19-10-3-4-11-19;;/h5-7,12H,1-4,8-11,17H2,(H,18,20);2*1H.
What are the key properties of 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).