5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide

C18H27N3O — CID 120641743

IUPAC5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27N3O/c1-13-6-7-14(19)12-17(13)18(22)20-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,19H2,1H3,(H,20,22)
InChIKeyJMXNKDGGPRKCSG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.71
Rot. Bonds3

About 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide

5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 120641743) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
PubChem CID120641743
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27N3O/c1-13-6-7-14(19)12-17(13)18(22)20-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,19H2,1H3,(H,20,22)
InChIKeyJMXNKDGGPRKCSG-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118786010
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide (CID 120641743) is 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is JMXNKDGGPRKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-6-7-14(19)12-17(13)18(22)20-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,19H2,1H3,(H,20,22).
What are the key properties of 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide?
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 301.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 120641743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).