(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride

C18H22ClNO4 — CID 117068713

IUPAC(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride
SMILESCl.O=C(OC(COc1ccccc1)CN1CCCC1)c1ccco1
InChIInChI=1S/C18H21NO4.ClH/c20-18(17-9-6-12-21-17)23-16(13-19-10-4-5-11-19)14-22-15-7-2-1-3-8-15;/h1-3,6-9,12,16H,4-5,10-11,13-14H2;1H
InChIKeyBVFDTPZGNWOYAR-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.40
Rot. Bonds7

About (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride

(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride (PubChem CID 117068713) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride
PubChem CID117068713
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride
SMILESCl.O=C(OC(COc1ccccc1)CN1CCCC1)c1ccco1
InChIInChI=1S/C18H21NO4.ClH/c20-18(17-9-6-12-21-17)23-16(13-19-10-4-5-11-19)14-22-15-7-2-1-3-8-15;/h1-3,6-9,12,16H,4-5,10-11,13-14H2;1H
InChIKeyBVFDTPZGNWOYAR-UHFFFAOYSA-N
XLogP3.40
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
CID 87474140
1,3-diaminopropan-2-yl furan-2-carboxylate;dihydrochloride
CID 139769684
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
CID 14592484
4-oxo-4-[1-[2-(2-phenylethyl)phenoxy]-3-piperidin-1-ylpropan-2-yl]oxybutanoic acid
CID 3070728
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
[1-(4-tert-butylphenoxy)-3-piperidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 4728879
[1-(4-tert-butylphenoxy)-3-piperidin-1-ylpropan-2-yl] 3,4-dimethoxybenzoate
CID 4728880
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
CID 11417286
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428

Frequently Asked Questions

What is the IUPAC name of (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride?
The IUPAC name of (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride (CID 117068713) is (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride.
What is the SMILES notation for (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride?
The canonical SMILES for (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride is Cl.O=C(OC(COc1ccccc1)CN1CCCC1)c1ccco1.
What is the InChIKey of (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride?
The InChIKey is BVFDTPZGNWOYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4.ClH/c20-18(17-9-6-12-21-17)23-16(13-19-10-4-5-11-19)14-22-15-7-2-1-3-8-15;/h1-3,6-9,12,16H,4-5,10-11,13-14H2;1H.
What are the key properties of (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride?
(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 117068713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).