N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

C18H26ClN3O2 — CID 119567049

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-12-18(8-1-2-9-18)21-16(22)5-3-4-13-6-7-15-14(10-13)11-17(23)20-15;/h6-7,10H,1-5,8-9,11-12,19H2,(H,20,23)(H,21,22);1H
InChIKeyPLLNUAMHMFTLDI-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (PubChem CID 119567049) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
PubChem CID119567049
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-12-18(8-1-2-9-18)21-16(22)5-3-4-13-6-7-15-14(10-13)11-17(23)20-15;/h6-7,10H,1-5,8-9,11-12,19H2,(H,20,23)(H,21,22);1H
InChIKeyPLLNUAMHMFTLDI-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119607628
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
5-butyl-1,3-dihydroindol-2-one
CID 10219749
N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 111459777

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (CID 119567049) is N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is Cl.NCC1(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The InChIKey is PLLNUAMHMFTLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-12-18(8-1-2-9-18)21-16(22)5-3-4-13-6-7-15-14(10-13)11-17(23)20-15;/h6-7,10H,1-5,8-9,11-12,19H2,(H,20,23)(H,21,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).