(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride

C21H23ClN2O3 — CID 119377660

IUPAC(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1
InChIInChI=1S/C21H22N2O3.ClH/c22-17-6-3-11-23(13-17)21(24)20-10-9-19(26-20)14-25-18-8-7-15-4-1-2-5-16(15)12-18;/h1-2,4-5,7-10,12,17H,3,6,11,13-14,22H2;1H
InChIKeySPEOWOJRPGDZJK-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.00
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride (PubChem CID 119377660) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
PubChem CID119377660
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1
InChIInChI=1S/C21H22N2O3.ClH/c22-17-6-3-11-23(13-17)21(24)20-10-9-19(26-20)14-25-18-8-7-15-4-1-2-5-16(15)12-18;/h1-2,4-5,7-10,12,17H,3,6,11,13-14,22H2;1H
InChIKeySPEOWOJRPGDZJK-UHFFFAOYSA-N
XLogP4.00
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579512
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119517190
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
[2-(aminomethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119466555
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 112800527
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 32648097
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride (CID 119377660) is (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The InChIKey is SPEOWOJRPGDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c22-17-6-3-11-23(13-17)21(24)20-10-9-19(26-20)14-25-18-8-7-15-4-1-2-5-16(15)12-18;/h1-2,4-5,7-10,12,17H,3,6,11,13-14,22H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119377660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).