N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride

C15H21ClN2O3 — CID 119602507

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3.ClH/c16-8-11-2-1-3-12(11)17-15(18)7-10-4-5-13-14(6-10)20-9-19-13;/h4-6,11-12H,1-3,7-9,16H2,(H,17,18);1H
InChIKeyRQIIHKJVMUAXDB-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride (PubChem CID 119602507) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
PubChem CID119602507
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3.ClH/c16-8-11-2-1-3-12(11)17-15(18)7-10-4-5-13-14(6-10)20-9-19-13;/h4-6,11-12H,1-3,7-9,16H2,(H,17,18);1H
InChIKeyRQIIHKJVMUAXDB-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide
CID 119602212
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70722564
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)propanamide
CID 119605313
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
N-[2-(aminomethyl)cyclohexyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610815
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride (CID 119602507) is N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The InChIKey is RQIIHKJVMUAXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c16-8-11-2-1-3-12(11)17-15(18)7-10-4-5-13-14(6-10)20-9-19-13;/h4-6,11-12H,1-3,7-9,16H2,(H,17,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119602507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).