N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide

C18H24FN3O3 — CID 95775799

IUPACN-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C18H24FN3O3/c19-15-11-13(17(23)20-12-14-5-4-10-25-14)6-7-16(15)21-18(24)22-8-2-1-3-9-22/h6-7,11,14H,1-5,8-10,12H2,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyQSBNYKVURUZTML-AWEZNQCLSA-N
MW349.41 g/mol
LogP2.75
Rot. Bonds4

About N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide

N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 95775799) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID95775799
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C18H24FN3O3/c19-15-11-13(17(23)20-12-14-5-4-10-25-14)6-7-16(15)21-18(24)22-8-2-1-3-9-22/h6-7,11,14H,1-5,8-10,12H2,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyQSBNYKVURUZTML-AWEZNQCLSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
3-nitro-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 15995929
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
N-(oxolan-2-ylmethyl)-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841657
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 95775799) is N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is QSBNYKVURUZTML-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-11-13(17(23)20-12-14-5-4-10-25-14)6-7-16(15)21-18(24)22-8-2-1-3-9-22/h6-7,11,14H,1-5,8-10,12H2,(H,20,23)(H,21,24)/t14-/m0/s1.
What are the key properties of N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide?
N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 95775799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).