4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride

C32H47ClN4O3 — CID 18353184

IUPAC4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(CC)cc2)c1.Cl
InChIInChI=1S/C32H46N4O3.ClH/c1-4-15-36(24-27-13-16-34(17-14-27)32(38)35-18-20-39-21-19-35)25(3)22-28-7-6-8-30(23-28)33-31(37)29-11-9-26(5-2)10-12-29;/h6-12,23,25,27H,4-5,13-22,24H2,1-3H3,(H,33,37);1H
InChIKeyLGFNKMFLRCJGHX-UHFFFAOYSA-N
MW571.21 g/mol
LogP5.73
Rot. Bonds10

About 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride

4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride (PubChem CID 18353184) has the molecular formula C32H47ClN4O3 and a molecular weight of 571.21 g/mol. Its IUPAC name is 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
PubChem CID18353184
Molecular FormulaC32H47ClN4O3
Molecular Weight571.21 g/mol
Exact Mass570.33
IUPAC Name4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(CC)cc2)c1.Cl
InChIInChI=1S/C32H46N4O3.ClH/c1-4-15-36(24-27-13-16-34(17-14-27)32(38)35-18-20-39-21-19-35)25(3)22-28-7-6-8-30(23-28)33-31(37)29-11-9-26(5-2)10-12-29;/h6-12,23,25,27H,4-5,13-22,24H2,1-3H3,(H,33,37);1H
InChIKeyLGFNKMFLRCJGHX-UHFFFAOYSA-N
XLogP5.73
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.21
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
CID 18352959
N-[3-[(2S)-2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 69142252
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
CID 18352743
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18352929
4-tert-butyl-N-[3-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352922
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352930
morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
CID 18352913
4-tert-butyl-N-[3-[2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 18353108
[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 18352815
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029
[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 18352938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride (CID 18353184) is 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(CC)cc2)c1.Cl.
What is the InChIKey of 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
The InChIKey is LGFNKMFLRCJGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O3.ClH/c1-4-15-36(24-27-13-16-34(17-14-27)32(38)35-18-20-39-21-19-35)25(3)22-28-7-6-8-30(23-28)33-31(37)29-11-9-26(5-2)10-12-29;/h6-12,23,25,27H,4-5,13-22,24H2,1-3H3,(H,33,37);1H.
What are the key properties of 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride?
4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride has a molecular weight of 571.21 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 18353184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).