N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide

C27H37N3O4 — CID 42480876

IUPACN-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
SMILESCOc1cccc(OC[C@H](O)CNC2CCN(c3ccc(C(=O)NC4CCCC4)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)23-11-9-20(10-12-23)27(32)29-22-5-2-3-6-22/h4,7-12,17,21-22,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyCIGLOKIXIYPTRC-XMMPIXPASA-N
MW467.61 g/mol
LogP3.37
Rot. Bonds10

About N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide

N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide (PubChem CID 42480876) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
PubChem CID42480876
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
SMILESCOc1cccc(OC[C@H](O)CNC2CCN(c3ccc(C(=O)NC4CCCC4)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)23-11-9-20(10-12-23)27(32)29-22-5-2-3-6-22/h4,7-12,17,21-22,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyCIGLOKIXIYPTRC-XMMPIXPASA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45183357
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
ethyl 4-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]benzoate
CID 69353578
N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide (CID 42480876) is N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide is COc1cccc(OC[C@H](O)CNC2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide?
The InChIKey is CIGLOKIXIYPTRC-XMMPIXPASA-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)23-11-9-20(10-12-23)27(32)29-22-5-2-3-6-22/h4,7-12,17,21-22,24,28,31H,2-3,5-6,13-16,18-19H2,1H3,(H,29,32)/t24-/m1/s1.
What are the key properties of N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide?
N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide has a molecular weight of 467.61 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42480876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).