1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide

C14H19N3O — CID 79650905

IUPAC1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19N3O/c15-13(18)14(16)6-5-12(7-14)17-8-10-3-1-2-4-11(10)9-17/h1-4,12H,5-9,16H2,(H2,15,18)
InChIKeyIDTZWPUWDULZGZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.74
Rot. Bonds2

About 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide

1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide (PubChem CID 79650905) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide
PubChem CID79650905
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19N3O/c15-13(18)14(16)6-5-12(7-14)17-8-10-3-1-2-4-11(10)9-17/h1-4,12H,5-9,16H2,(H2,15,18)
InChIKeyIDTZWPUWDULZGZ-UHFFFAOYSA-N
XLogP0.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclohexane-1-carboxylic acid
CID 79642312
1-amino-3-(4-piperidin-1-ylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79646142
1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79626357
1-amino-3-(2-azaspiro[4.5]decan-2-yl)cyclopentane-1-carboxamide
CID 114279513
1-amino-3-(4,4-diethylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79651839
1-amino-3-indazol-1-ylcyclohexane-1-carboxamide
CID 79637456
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
1-amino-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650855
1-amino-3-(4-tert-butylazepan-1-yl)cyclopentane-1-carboxamide
CID 79651723

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide (CID 79650905) is 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide is NC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is IDTZWPUWDULZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-13(18)14(16)6-5-12(7-14)17-8-10-3-1-2-4-11(10)9-17/h1-4,12H,5-9,16H2,(H2,15,18).
What are the key properties of 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide?
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79650905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).