N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C21H29FN2O3 — CID 25381855

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)OCCO1
InChIInChI=1S/C21H29FN2O3/c1-16-20(27-14-13-26-16)21(25)23(2)15-18-8-11-24(12-9-18)10-7-17-3-5-19(22)6-4-17/h3-6,18H,7-15H2,1-2H3
InChIKeyWXTIYESZIMXYDU-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.82
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 25381855) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID25381855
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)OCCO1
InChIInChI=1S/C21H29FN2O3/c1-16-20(27-14-13-26-16)21(25)23(2)15-18-8-11-24(12-9-18)10-7-17-3-5-19(22)6-4-17/h3-6,18H,7-15H2,1-2H3
InChIKeyWXTIYESZIMXYDU-UHFFFAOYSA-N
XLogP2.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-9-[2-(2,3-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561099
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
(2R)-9-[2-(2,4-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162644152
(2R)-9-[2-(2,6-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162655458
RK23MQ4Bah
CID 162659525
4-[2-(2-Fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162667151
(2R)-4-ethyl-9-[2-(4-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162669410
US10927128, Example 89
CID 135374653

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 25381855) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)OCCO1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is WXTIYESZIMXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-16-20(27-14-13-26-16)21(25)23(2)15-18-8-11-24(12-9-18)10-7-17-3-5-19(22)6-4-17/h3-6,18H,7-15H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 25381855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).