N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C24H31FN2O2S — CID 45208136

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)s1
InChIInChI=1S/C24H31FN2O2S/c1-18-8-9-23(30-18)24(28)27(17-21-6-4-14-29-21)15-19-10-12-26(13-11-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-9,19,21H,4,6,10-17H2,1H3
InChIKeyVDXQPISFSJSYKX-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.73
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 45208136) has the molecular formula C24H31FN2O2S and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID45208136
Molecular FormulaC24H31FN2O2S
Molecular Weight430.59 g/mol
Exact Mass430.21
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)s1
InChIInChI=1S/C24H31FN2O2S/c1-18-8-9-23(30-18)24(28)27(17-21-6-4-14-29-21)15-19-10-12-26(13-11-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-9,19,21H,4,6,10-17H2,1H3
InChIKeyVDXQPISFSJSYKX-UHFFFAOYSA-N
XLogP4.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
5-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 26330943
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 28956359
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 25454692
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 25454686
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)but-3-enamide
CID 45171410
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 97280461
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-oxido-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 26407799
1-N'-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-N'-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 45236449
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 45208136) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is Cc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)s1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VDXQPISFSJSYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c1-18-8-9-23(30-18)24(28)27(17-21-6-4-14-29-21)15-19-10-12-26(13-11-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-9,19,21H,4,6,10-17H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 4.73, 7 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]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45208136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).