4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide

C33H48N4O4 — CID 18352959

IUPAC4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
SMILESCCCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C33H48N4O4/c1-4-5-6-16-37(25-27-14-17-35(18-15-27)33(39)36-19-21-41-22-20-36)26(2)23-28-8-7-9-30(24-28)34-32(38)29-10-12-31(40-3)13-11-29/h7-13,24,26-27H,4-6,14-23,25H2,1-3H3,(H,34,38)
InChIKeyPAPRZCLRMXHOBX-UHFFFAOYSA-N
MW564.77 g/mol
LogP5.53
Rot. Bonds12

About 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide

4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide (PubChem CID 18352959) has the molecular formula C33H48N4O4 and a molecular weight of 564.77 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
PubChem CID18352959
Molecular FormulaC33H48N4O4
Molecular Weight564.77 g/mol
Exact Mass564.37
IUPAC Name4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
SMILESCCCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C33H48N4O4/c1-4-5-6-16-37(25-27-14-17-35(18-15-27)33(39)36-19-21-41-22-20-36)26(2)23-28-8-7-9-30(24-28)34-32(38)29-10-12-31(40-3)13-11-29/h7-13,24,26-27H,4-6,14-23,25H2,1-3H3,(H,34,38)
InChIKeyPAPRZCLRMXHOBX-UHFFFAOYSA-N
XLogP5.53
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
N-[3-[(2S)-2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 69142252
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352930
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18352929
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-(3-methylbutanoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352922
ethyl 4-[[1-[3-[(4-tert-butylbenzoyl)amino]phenyl]propan-2-yl-propylamino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 18352903
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
N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
CID 18352743
N-tert-butyl-4-[[1-[3-[(4-tert-butylbenzoyl)amino]phenyl]propan-2-yl-propylamino]methyl]piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 18353226
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide (CID 18352959) is 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide is CCCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide?
The InChIKey is PAPRZCLRMXHOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N4O4/c1-4-5-6-16-37(25-27-14-17-35(18-15-27)33(39)36-19-21-41-22-20-36)26(2)23-28-8-7-9-30(24-28)34-32(38)29-10-12-31(40-3)13-11-29/h7-13,24,26-27H,4-6,14-23,25H2,1-3H3,(H,34,38).
What are the key properties of 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide?
4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide has a molecular weight of 564.77 g/mol, XLogP of 5.53, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide is sourced from PubChem (CID 18352959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).