N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide

C27H27N3O3S — CID 11248476

IUPACN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H27N3O3S/c31-26(20-6-2-1-3-7-20)28-21-14-16-30(17-15-21)18-19-32-22-10-12-23(13-11-22)33-27-29-24-8-4-5-9-25(24)34-27/h1-13,21H,14-19H2,(H,28,31)
InChIKeyJHZPCBCFJAQJNC-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.36
Rot. Bonds8

About N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide

N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide (PubChem CID 11248476) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide
PubChem CID11248476
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H27N3O3S/c31-26(20-6-2-1-3-7-20)28-21-14-16-30(17-15-21)18-19-32-22-10-12-23(13-11-22)33-27-29-24-8-4-5-9-25(24)34-27/h1-13,21H,14-19H2,(H,28,31)
InChIKeyJHZPCBCFJAQJNC-UHFFFAOYSA-N
XLogP5.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]-2-oxoethyl]amino]acetic acid
CID 142756419
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
2-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenoxy]-1,3-benzothiazole
CID 67303541
3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 24901586
tert-butyl N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]carbamate
CID 59989100
3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 59989169
ethyl N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 59989101
1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]-4-(4-bromophenyl)piperidin-4-ol
CID 11168454
3-[(1-acetylpiperidin-4-yl)-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]amino]propanoic acid
CID 67303096
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
methyl 3-[4-(1,3-benzothiazol-2-yloxy)phenoxy]propanoate
CID 57116230
2-[[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidine-4-carbonyl]-methylamino]-3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]pentanedioic acid
CID 175099704

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide (CID 11248476) is N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide?
The InChIKey is JHZPCBCFJAQJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-26(20-6-2-1-3-7-20)28-21-14-16-30(17-15-21)18-19-32-22-10-12-23(13-11-22)33-27-29-24-8-4-5-9-25(24)34-27/h1-13,21H,14-19H2,(H,28,31).
What are the key properties of N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide?
N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 11248476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).