N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide

C22H34FN3O2 — CID 26332764

IUPACN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
SMILESCN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCN1CCOCC1
InChIInChI=1S/C22H34FN3O2/c1-24(22(27)9-12-25-13-15-28-16-14-25)17-19-5-4-10-26(18-19)11-8-20-6-2-3-7-21(20)23/h2-3,6-7,19H,4-5,8-18H2,1H3/t19-/m1/s1
InChIKeyHWSXTVRQJQLADZ-LJQANCHMSA-N
MW391.53 g/mol
LogP2.26
Rot. Bonds8

About N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide

N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide (PubChem CID 26332764) has the molecular formula C22H34FN3O2 and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
PubChem CID26332764
Molecular FormulaC22H34FN3O2
Molecular Weight391.53 g/mol
Exact Mass391.26
IUPAC NameN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
SMILESCN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCN1CCOCC1
InChIInChI=1S/C22H34FN3O2/c1-24(22(27)9-12-25-13-15-28-16-14-25)17-19-5-4-10-26(18-19)11-8-20-6-2-3-7-21(20)23/h2-3,6-7,19H,4-5,8-18H2,1H3/t19-/m1/s1
InChIKeyHWSXTVRQJQLADZ-LJQANCHMSA-N
XLogP2.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
CID 45184990
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
2-(2,4-dioxopyrimidin-1-yl)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 72837777
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45234391
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131288
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72885850

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide (CID 26332764) is N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide is CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCN1CCOCC1.
What is the InChIKey of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is HWSXTVRQJQLADZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34FN3O2/c1-24(22(27)9-12-25-13-15-28-16-14-25)17-19-5-4-10-26(18-19)11-8-20-6-2-3-7-21(20)23/h2-3,6-7,19H,4-5,8-18H2,1H3/t19-/m1/s1.
What are the key properties of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide?
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 391.53 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 26332764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).