[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride

C23H27ClN2O3 — CID 119517190

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1.Cl
InChIInChI=1S/C23H26N2O3.ClH/c1-16(24)17-10-12-25(13-11-17)23(26)22-9-8-21(28-22)15-27-20-7-6-18-4-2-3-5-19(18)14-20;/h2-9,14,16-17H,10-13,15,24H2,1H3;1H
InChIKeyXHEQNTNSDIQKLK-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.63
Rot. Bonds5

About [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride (PubChem CID 119517190) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
PubChem CID119517190
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1.Cl
InChIInChI=1S/C23H26N2O3.ClH/c1-16(24)17-10-12-25(13-11-17)23(26)22-9-8-21(28-22)15-27-20-7-6-18-4-2-3-5-19(18)14-20;/h2-9,14,16-17H,10-13,15,24H2,1H3;1H
InChIKeyXHEQNTNSDIQKLK-UHFFFAOYSA-N
XLogP4.63
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.63
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-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119377660
[2-(aminomethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119466555
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 112800527
(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 32648097
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 119592675
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 38025161
[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-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride (CID 119517190) is [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride is CC(N)C1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
The InChIKey is XHEQNTNSDIQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3.ClH/c1-16(24)17-10-12-25(13-11-17)23(26)22-9-8-21(28-22)15-27-20-7-6-18-4-2-3-5-19(18)14-20;/h2-9,14,16-17H,10-13,15,24H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride has a molecular weight of 414.93 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119517190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).