[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone

C18H22ClN3O2 — CID 124690489

IUPAC[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13(15-4-2-3-5-16(15)19)21-8-10-22(11-9-21)18(23)17-7-6-14(12-20)24-17/h2-7,13H,8-12,20H2,1H3/t13-/m1/s1
InChIKeySTVNRCZDZHLHLP-CYBMUJFWSA-N
MW347.85 g/mol
LogP2.91
Rot. Bonds4

About [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone

[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 124690489) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID124690489
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13(15-4-2-3-5-16(15)19)21-8-10-22(11-9-21)18(23)17-7-6-14(12-20)24-17/h2-7,13H,8-12,20H2,1H3/t13-/m1/s1
InChIKeySTVNRCZDZHLHLP-CYBMUJFWSA-N
XLogP2.91
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 20899400
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55608796
2-[1-[5-(aminomethyl)furan-2-carbonyl]azetidin-3-yl]propanoic acid
CID 116682263
1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55830279

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone (CID 124690489) is [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone is C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(CN)o2)CC1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is STVNRCZDZHLHLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13(15-4-2-3-5-16(15)19)21-8-10-22(11-9-21)18(23)17-7-6-14(12-20)24-17/h2-7,13H,8-12,20H2,1H3/t13-/m1/s1.
What are the key properties of [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone?
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 124690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).