CID 162740801

C16H22NO3 — CID 162740801

IUPAC—
SMILESCCC.O=C(C1=C[CH]1)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C13H14NO3.C3H8/c15-13(10-1-2-10)12-4-3-11(17-12)9-14-5-7-16-8-6-14;1-3-2/h1-4H,5-9H2;3H2,1-2H3
InChIKeySLIZELSQIJMLNJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.86
Rot. Bonds4

About CID 162740801

CID 162740801 (PubChem CID 162740801) has the molecular formula C16H22NO3 and a molecular weight of 276.36 g/mol.

Molecular Properties

Compound NameCID 162740801
PubChem CID162740801
Molecular FormulaC16H22NO3
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name—
SMILESCCC.O=C(C1=C[CH]1)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C13H14NO3.C3H8/c15-13(10-1-2-10)12-4-3-11(17-12)9-14-5-7-16-8-6-14;1-3-2/h1-4H,5-9H2;3H2,1-2H3
InChIKeySLIZELSQIJMLNJ-UHFFFAOYSA-N
XLogP2.86
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate
CID 87558954
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150

Frequently Asked Questions

What is the IUPAC name of CID 162740801?
The IUPAC name of CID 162740801 (CID 162740801) is not available.
What is the SMILES notation for CID 162740801?
The canonical SMILES for CID 162740801 is CCC.O=C(C1=C[CH]1)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of CID 162740801?
The InChIKey is SLIZELSQIJMLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO3.C3H8/c15-13(10-1-2-10)12-4-3-11(17-12)9-14-5-7-16-8-6-14;1-3-2/h1-4H,5-9H2;3H2,1-2H3.
What are the key properties of CID 162740801?
CID 162740801 has a molecular weight of 276.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162740801 is sourced from PubChem (CID 162740801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).