4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride

C31H44ClFN4O4 — CID 18352929

IUPAC4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(OC)c(NC(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C31H43FN4O4.ClH/c1-4-13-36(22-24-11-14-34(15-12-24)31(38)35-16-18-40-19-17-35)23(2)20-25-5-10-29(39-3)28(21-25)33-30(37)26-6-8-27(32)9-7-26;/h5-10,21,23-24H,4,11-20,22H2,1-3H3,(H,33,37);1H
InChIKeyCPEOLWYMKCMFRY-UHFFFAOYSA-N
MW591.17 g/mol
LogP5.32
Rot. Bonds10

About 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride

4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride (PubChem CID 18352929) has the molecular formula C31H44ClFN4O4 and a molecular weight of 591.17 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
PubChem CID18352929
Molecular FormulaC31H44ClFN4O4
Molecular Weight591.17 g/mol
Exact Mass590.30
IUPAC Name4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(OC)c(NC(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C31H43FN4O4.ClH/c1-4-13-36(22-24-11-14-34(15-12-24)31(38)35-16-18-40-19-17-35)23(2)20-25-5-10-29(39-3)28(21-25)33-30(37)26-6-8-27(32)9-7-26;/h5-10,21,23-24H,4,11-20,22H2,1-3H3,(H,33,37);1H
InChIKeyCPEOLWYMKCMFRY-UHFFFAOYSA-N
XLogP5.32
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.17
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride with MolForge

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Related Compounds

4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352930
4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
CID 18352743
4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
CID 18352959
[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 18352815
[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 18352938
[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 15546289
morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
CID 18352913
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
[4-[[[(2S)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-2-yl]-ethylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 70214315
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride (CID 18352929) is 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(OC)c(NC(=O)c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The InChIKey is CPEOLWYMKCMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FN4O4.ClH/c1-4-13-36(22-24-11-14-34(15-12-24)31(38)35-16-18-40-19-17-35)23(2)20-25-5-10-29(39-3)28(21-25)33-30(37)26-6-8-27(32)9-7-26;/h5-10,21,23-24H,4,11-20,22H2,1-3H3,(H,33,37);1H.
What are the key properties of 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride has a molecular weight of 591.17 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 18352929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).