N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C19H23F2N3O3S — CID 49073099

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(F)F)CC2)ccc1OCc1cscn1
InChIInChI=1S/C19H23F2N3O3S/c1-26-17-8-13(2-3-16(17)27-10-15-11-28-12-22-15)19(25)23-14-4-6-24(7-5-14)9-18(20)21/h2-3,8,11-12,14,18H,4-7,9-10H2,1H3,(H,23,25)
InChIKeyIYCDQQXVTPIQGN-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.19
Rot. Bonds8

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 49073099) has the molecular formula C19H23F2N3O3S and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID49073099
Molecular FormulaC19H23F2N3O3S
Molecular Weight411.47 g/mol
Exact Mass411.14
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(F)F)CC2)ccc1OCc1cscn1
InChIInChI=1S/C19H23F2N3O3S/c1-26-17-8-13(2-3-16(17)27-10-15-11-28-12-22-15)19(25)23-14-4-6-24(7-5-14)9-18(20)21/h2-3,8,11-12,14,18H,4-7,9-10H2,1H3,(H,23,25)
InChIKeyIYCDQQXVTPIQGN-UHFFFAOYSA-N
XLogP3.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119575867
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 49073099) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NC2CCN(CC(F)F)CC2)ccc1OCc1cscn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is IYCDQQXVTPIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-26-17-8-13(2-3-16(17)27-10-15-11-28-12-22-15)19(25)23-14-4-6-24(7-5-14)9-18(20)21/h2-3,8,11-12,14,18H,4-7,9-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 49073099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).