N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide

C23H31F2N3O2 — CID 167460281

IUPACN-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)N2CCCC3(CCCC3)C2)[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C23H31F2N3O2/c1-16(29)26-18-7-12-28(21(14-18)19-13-17(24)5-6-20(19)25)22(30)27-11-4-10-23(15-27)8-2-3-9-23/h5-6,13,18,21H,2-4,7-12,14-15H2,1H3,(H,26,29)/t18-,21+/m1/s1
InChIKeyRGLWGPNWODYBIA-NQIIRXRSSA-N
MW419.52 g/mol
LogP4.38
Rot. Bonds2

About N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide

N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide (PubChem CID 167460281) has the molecular formula C23H31F2N3O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide
PubChem CID167460281
Molecular FormulaC23H31F2N3O2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC NameN-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)N2CCCC3(CCCC3)C2)[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C23H31F2N3O2/c1-16(29)26-18-7-12-28(21(14-18)19-13-17(24)5-6-20(19)25)22(30)27-11-4-10-23(15-27)8-2-3-9-23/h5-6,13,18,21H,2-4,7-12,14-15H2,1H3,(H,26,29)/t18-,21+/m1/s1
InChIKeyRGLWGPNWODYBIA-NQIIRXRSSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[9-[2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-methyl-2-propyl-1H-pyridin-4-one
CID 176681642
5-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-(4-fluorophenyl)-1H-pyridin-4-one
CID 176681665
5-[[9-[(2S)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-methylsulfanyl-6-oxo-1H-pyridine-3-carbonitrile
CID 176681908
3-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681971
6-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 176681602
3-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridazin-4-one
CID 176681553
5-[[4-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-1,4-diazaspiro[5.5]undecan-1-yl]methyl]-2-phenyl-1H-pyridin-4-one
CID 176681699
5-[[8-[(2S,4R)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-2-phenyl-1H-pyridin-4-one
CID 176681954
3-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 176681693
5-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-1-methyl-2-thiophen-3-ylpyridin-4-one
CID 176681675
3-[[9-[(2S,4R)-4-amino-2-(2,5-difluorophenyl)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one
CID 176681981
3-[[7-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-10-methoxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one
CID 165142037

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide (CID 167460281) is N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide is CC(=O)N[C@@H]1CCN(C(=O)N2CCCC3(CCCC3)C2)[C@H](c2cc(F)ccc2F)C1.
What is the InChIKey of N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide?
The InChIKey is RGLWGPNWODYBIA-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H31F2N3O2/c1-16(29)26-18-7-12-28(21(14-18)19-13-17(24)5-6-20(19)25)22(30)27-11-4-10-23(15-27)8-2-3-9-23/h5-6,13,18,21H,2-4,7-12,14-15H2,1H3,(H,26,29)/t18-,21+/m1/s1.
What are the key properties of N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide?
N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-(7-azaspiro[4.5]decane-7-carbonyl)-2-(2,5-difluorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 167460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).