N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride

C29H43ClN4O4 — CID 18353213

IUPACN-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C29H42N4O4.ClH/c1-3-4-12-33(22-24-10-13-31(14-11-24)29(35)32-15-18-36-19-16-32)23(2)20-25-7-5-8-26(21-25)30-28(34)27-9-6-17-37-27;/h5-9,17,21,23-24H,3-4,10-16,18-20,22H2,1-2H3,(H,30,34);1H
InChIKeyPUXQNQZGDQSLDE-UHFFFAOYSA-N
MW547.14 g/mol
LogP5.15
Rot. Bonds10

About N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 18353213) has the molecular formula C29H43ClN4O4 and a molecular weight of 547.14 g/mol. Its IUPAC name is N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID18353213
Molecular FormulaC29H43ClN4O4
Molecular Weight547.14 g/mol
Exact Mass546.30
IUPAC NameN-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C29H42N4O4.ClH/c1-3-4-12-33(22-24-10-13-31(14-11-24)29(35)32-15-18-36-19-16-32)23(2)20-25-7-5-8-26(21-25)30-28(34)27-9-6-17-37-27;/h5-9,17,21,23-24H,3-4,10-16,18-20,22H2,1-2H3,(H,30,34);1H
InChIKeyPUXQNQZGDQSLDE-UHFFFAOYSA-N
XLogP5.15
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.14
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride with MolForge

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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-[(2S)-2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 69142252
N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
CID 18352993
morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
CID 18352913
[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
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
N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide;hydrochloride
CID 18353138
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride (CID 18353213) is N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride is CCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccco2)c1.Cl.
What is the InChIKey of N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is PUXQNQZGDQSLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O4.ClH/c1-3-4-12-33(22-24-10-13-31(14-11-24)29(35)32-15-18-36-19-16-32)23(2)20-25-7-5-8-26(21-25)30-28(34)27-9-6-17-37-27;/h5-9,17,21,23-24H,3-4,10-16,18-20,22H2,1-2H3,(H,30,34);1H.
What are the key properties of N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 547.14 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 18353213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).