N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide

C22H33FN2O3 — CID 72858128

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C1CCCCO1
InChIInChI=1S/C22H33FN2O3/c1-27-15-13-25(22(26)21-8-4-5-14-28-21)16-18-9-11-24(12-10-18)17-19-6-2-3-7-20(19)23/h2-3,6-7,18,21H,4-5,8-17H2,1H3
InChIKeyXBDNNRYPBXVIKH-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.08
Rot. Bonds8

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide (PubChem CID 72858128) has the molecular formula C22H33FN2O3 and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide
PubChem CID72858128
Molecular FormulaC22H33FN2O3
Molecular Weight392.52 g/mol
Exact Mass392.25
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C1CCCCO1
InChIInChI=1S/C22H33FN2O3/c1-27-15-13-25(22(26)21-8-4-5-14-28-21)16-18-9-11-24(12-10-18)17-19-6-2-3-7-20(19)23/h2-3,6-7,18,21H,4-5,8-17H2,1H3
InChIKeyXBDNNRYPBXVIKH-UHFFFAOYSA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
(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
(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
(2R)-4-ethyl-9-[2-(4-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162669410
US10927128, Example 24
CID 135332733
US10927128, Example 23
CID 135332796

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide (CID 72858128) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide is COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C1CCCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide?
The InChIKey is XBDNNRYPBXVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O3/c1-27-15-13-25(22(26)21-8-4-5-14-28-21)16-18-9-11-24(12-10-18)17-19-6-2-3-7-20(19)23/h2-3,6-7,18,21H,4-5,8-17H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)oxane-2-carboxamide is sourced from PubChem (CID 72858128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).