N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide

C22H21F2N3O3 — CID 55376798

IUPACN-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(NCCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O3/c23-15-5-6-16(17(24)13-15)21(29)25-10-7-20(28)27-11-8-14(9-12-27)22-26-18-3-1-2-4-19(18)30-22/h1-6,13-14H,7-12H2,(H,25,29)
InChIKeyUSKPXDRWNGZABB-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.63
Rot. Bonds5

About N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 55376798) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID55376798
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC NameN-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(NCCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O3/c23-15-5-6-16(17(24)13-15)21(29)25-10-7-20(28)27-11-8-14(9-12-27)22-26-18-3-1-2-4-19(18)30-22/h1-6,13-14H,7-12H2,(H,25,29)
InChIKeyUSKPXDRWNGZABB-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 25495650
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 31186982
tert-butyl N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 51217581
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 51144937
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 16595064
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-chlorophenoxy)propan-1-one
CID 55704465
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9255199
N-[4-[4-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119423550

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide (CID 55376798) is N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide is O=C(NCCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is USKPXDRWNGZABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c23-15-5-6-16(17(24)13-15)21(29)25-10-7-20(28)27-11-8-14(9-12-27)22-26-18-3-1-2-4-19(18)30-22/h1-6,13-14H,7-12H2,(H,25,29).
What are the key properties of N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 413.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55376798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).