(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C19H23ClN2O2 — CID 119623310

IUPAC(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(NCC3CC3)CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H23ClN2O2/c1-12-16-10-14(20)4-5-17(16)24-18(12)19(23)22-8-6-15(7-9-22)21-11-13-2-3-13/h4-5,10,13,15,21H,2-3,6-9,11H2,1H3
InChIKeyNALAYUQOBBQION-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.00
Rot. Bonds4

About (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119623310) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119623310
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(NCC3CC3)CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H23ClN2O2/c1-12-16-10-14(20)4-5-17(16)24-18(12)19(23)22-8-6-15(7-9-22)21-11-13-2-3-13/h4-5,10,13,15,21H,2-3,6-9,11H2,1H3
InChIKeyNALAYUQOBBQION-UHFFFAOYSA-N
XLogP4.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544572
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615
(5-chloro-3-methyl-1-benzofuran-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029859
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119625360
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methanone
CID 8530168
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157497
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119623310) is (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(NCC3CC3)CC2)oc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is NALAYUQOBBQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12-16-10-14(20)4-5-17(16)24-18(12)19(23)22-8-6-15(7-9-22)21-11-13-2-3-13/h4-5,10,13,15,21H,2-3,6-9,11H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119623310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).