4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide

C17H25FN4O3 — CID 167957043

IUPAC4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCC3CNCCO3)CC2)ccc1F
InChIInChI=1S/C17H25FN4O3/c1-24-16-10-13(2-3-15(16)18)21-5-7-22(8-6-21)17(23)20-12-14-11-19-4-9-25-14/h2-3,10,14,19H,4-9,11-12H2,1H3,(H,20,23)
InChIKeyLRWDDXPXXYVOER-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.65
Rot. Bonds4

About 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide

4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 167957043) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID167957043
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCC3CNCCO3)CC2)ccc1F
InChIInChI=1S/C17H25FN4O3/c1-24-16-10-13(2-3-15(16)18)21-5-7-22(8-6-21)17(23)20-12-14-11-19-4-9-25-14/h2-3,10,14,19H,4-9,11-12H2,1H3,(H,20,23)
InChIKeyLRWDDXPXXYVOER-UHFFFAOYSA-N
XLogP0.65
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 100750755
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide
CID 124852030
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 135097884
4-(2-cyano-3-fluorophenyl)-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
CID 128834281
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide (CID 167957043) is 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)NCC3CNCCO3)CC2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LRWDDXPXXYVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-24-16-10-13(2-3-15(16)18)21-5-7-22(8-6-21)17(23)20-12-14-11-19-4-9-25-14/h2-3,10,14,19H,4-9,11-12H2,1H3,(H,20,23).
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide?
4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 167957043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).