(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide

C20H26F2N4O2S — CID 100611911

IUPAC(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
SMILESCCc1csc(NC2CCN([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C20H26F2N4O2S/c1-3-14-12-29-20(24-14)25-16-8-10-26(11-9-16)13(2)18(27)23-15-4-6-17(7-5-15)28-19(21)22/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,23,27)(H,24,25)/t13-/m1/s1
InChIKeyDRHMGWULVIJOMZ-CYBMUJFWSA-N
MW424.52 g/mol
LogP4.21
Rot. Bonds8

About (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide

(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide (PubChem CID 100611911) has the molecular formula C20H26F2N4O2S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
PubChem CID100611911
Molecular FormulaC20H26F2N4O2S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
SMILESCCc1csc(NC2CCN([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C20H26F2N4O2S/c1-3-14-12-29-20(24-14)25-16-8-10-26(11-9-16)13(2)18(27)23-15-4-6-17(7-5-15)28-19(21)22/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,23,27)(H,24,25)/t13-/m1/s1
InChIKeyDRHMGWULVIJOMZ-CYBMUJFWSA-N
XLogP4.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 102561667
ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785660
N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46632003
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
N-[4-(difluoromethoxy)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932277
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
CID 86865419
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide (CID 100611911) is (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide is CCc1csc(NC2CCN([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1.
What is the InChIKey of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The InChIKey is DRHMGWULVIJOMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26F2N4O2S/c1-3-14-12-29-20(24-14)25-16-8-10-26(11-9-16)13(2)18(27)23-15-4-6-17(7-5-15)28-19(21)22/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,23,27)(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 100611911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).