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

C28H46ClN5O4 — CID 18352743

IUPACN-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(NC(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C28H45N5O4.ClH/c1-3-10-33(22-25-8-11-31(12-9-25)28(35)32-15-19-37-20-16-32)23(2)21-24-4-6-26(7-5-24)29-27(34)30-13-17-36-18-14-30;/h4-7,23,25H,3,8-22H2,1-2H3,(H,29,34);1H
InChIKeyCIXIPXFATMQVSC-UHFFFAOYSA-N
MW552.16 g/mol
LogP3.78
Rot. Bonds8

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

N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride (PubChem CID 18352743) has the molecular formula C28H46ClN5O4 and a molecular weight of 552.16 g/mol. Its IUPAC name is N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
PubChem CID18352743
Molecular FormulaC28H46ClN5O4
Molecular Weight552.16 g/mol
Exact Mass551.32
IUPAC NameN-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(NC(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C28H45N5O4.ClH/c1-3-10-33(22-25-8-11-31(12-9-25)28(35)32-15-19-37-20-16-32)23(2)21-24-4-6-26(7-5-24)29-27(34)30-13-17-36-18-14-30;/h4-7,23,25H,3,8-22H2,1-2H3,(H,29,34);1H
InChIKeyCIXIPXFATMQVSC-UHFFFAOYSA-N
XLogP3.78
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[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-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
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;hydrochloride
CID 18352929
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352930
4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
CID 18352959
[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-(4-butan-2-ylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143459
N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
CID 106911473
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride (CID 18352743) is N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(NC(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride?
The InChIKey is CIXIPXFATMQVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N5O4.ClH/c1-3-10-33(22-25-8-11-31(12-9-25)28(35)32-15-19-37-20-16-32)23(2)21-24-4-6-26(7-5-24)29-27(34)30-13-17-36-18-14-30;/h4-7,23,25H,3,8-22H2,1-2H3,(H,29,34);1H.
What are the key properties of N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride?
N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride has a molecular weight of 552.16 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 18352743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).