1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride

C23H28ClN3O3 — CID 119622525

IUPAC1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
SMILESCl.O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C23H27N3O3.ClH/c27-21-13-17-3-1-2-4-20(17)26(21)15-18-9-12-29-22(18)23(28)25-10-7-19(8-11-25)24-14-16-5-6-16;/h1-4,9,12,16,19,24H,5-8,10-11,13-15H2;1H
InChIKeyPBSMBBOPQIWCNX-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.39
Rot. Bonds6

About 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride

1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride (PubChem CID 119622525) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
PubChem CID119622525
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
SMILESCl.O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C23H27N3O3.ClH/c27-21-13-17-3-1-2-4-20(17)26(21)15-18-9-12-29-22(18)23(28)25-10-7-19(8-11-25)24-14-16-5-6-16;/h1-4,9,12,16,19,24H,5-8,10-11,13-15H2;1H
InChIKeyPBSMBBOPQIWCNX-UHFFFAOYSA-N
XLogP3.39
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride with MolForge

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Related Compounds

1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119593691
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 119613935
N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
CID 125146446
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
CID 119540326
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The IUPAC name of 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride (CID 119622525) is 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The canonical SMILES for 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride is Cl.O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The InChIKey is PBSMBBOPQIWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.ClH/c27-21-13-17-3-1-2-4-20(17)26(21)15-18-9-12-29-22(18)23(28)25-10-7-19(8-11-25)24-14-16-5-6-16;/h1-4,9,12,16,19,24H,5-8,10-11,13-15H2;1H.
What are the key properties of 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 119622525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).