N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide

C21H23F2N3O4 — CID 52513679

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2N3O4/c22-21(23)30-18-8-6-15(7-9-18)25-19(28)12-24-16-4-1-3-14(11-16)20(29)26-10-2-5-17(27)13-26/h1,3-4,6-9,11,17,21,24,27H,2,5,10,12-13H2,(H,25,28)/t17-/m0/s1
InChIKeyTYTVSBIVRLKVDP-KRWDZBQOSA-N
MW419.43 g/mol
LogP2.94
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide (PubChem CID 52513679) has the molecular formula C21H23F2N3O4 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
PubChem CID52513679
Molecular FormulaC21H23F2N3O4
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2N3O4/c22-21(23)30-18-8-6-15(7-9-18)25-19(28)12-24-16-4-1-3-14(11-16)20(29)26-10-2-5-17(27)13-26/h1,3-4,6-9,11,17,21,24,27H,2,5,10,12-13H2,(H,25,28)/t17-/m0/s1
InChIKeyTYTVSBIVRLKVDP-KRWDZBQOSA-N
XLogP2.94
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)acetamide
CID 9098936
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide (CID 52513679) is N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide is O=C(CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide?
The InChIKey is TYTVSBIVRLKVDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23F2N3O4/c22-21(23)30-18-8-6-15(7-9-18)25-19(28)12-24-16-4-1-3-14(11-16)20(29)26-10-2-5-17(27)13-26/h1,3-4,6-9,11,17,21,24,27H,2,5,10,12-13H2,(H,25,28)/t17-/m0/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide has a molecular weight of 419.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide is sourced from PubChem (CID 52513679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).