N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C27H37N3O4 — CID 45183357

IUPACN-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESCOc1cccc(OCC(O)CNC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)c1
InChIInChI=1S/C27H37N3O4/c1-33-25-7-4-8-26(17-25)34-19-24(31)18-28-21-13-15-30(16-14-21)23-11-9-22(10-12-23)29-27(32)20-5-2-3-6-20/h4,7-12,17,20-21,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32)
InChIKeyCCRDXHQCLHIVTG-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.82
Rot. Bonds10

About N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 45183357) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID45183357
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESCOc1cccc(OCC(O)CNC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)c1
InChIInChI=1S/C27H37N3O4/c1-33-25-7-4-8-26(17-25)34-19-24(31)18-28-21-13-15-30(16-14-21)23-11-9-22(10-12-23)29-27(32)20-5-2-3-6-20/h4,7-12,17,20-21,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32)
InChIKeyCCRDXHQCLHIVTG-UHFFFAOYSA-N
XLogP3.82
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
CID 42480876
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
N-(3,4-dimethoxyphenyl)-4-[4-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]benzenesulfonamide
CID 10120294
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 28666705

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 45183357) is N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is COc1cccc(OCC(O)CNC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is CCRDXHQCLHIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-33-25-7-4-8-26(17-25)34-19-24(31)18-28-21-13-15-30(16-14-21)23-11-9-22(10-12-23)29-27(32)20-5-2-3-6-20/h4,7-12,17,20-21,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32).
What are the key properties of N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 45183357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).