2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

C23H32N4O — CID 118297890

IUPAC2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOC2)C1
InChIInChI=1S/C23H32N4O/c24-10-9-23(16-26(17-23)20-8-13-28-15-20)27-11-6-19(7-12-27)25-22-14-21(22)18-4-2-1-3-5-18/h1-5,19-22,25H,6-9,11-17H2/t20?,21?,22-/m1/s1
InChIKeyFXFHNEHARADBNL-LZBANZJXSA-N
MW380.54 g/mol
LogP2.35
Rot. Bonds6

About 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118297890) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118297890
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOC2)C1
InChIInChI=1S/C23H32N4O/c24-10-9-23(16-26(17-23)20-8-13-28-15-20)27-11-6-19(7-12-27)25-22-14-21(22)18-4-2-1-3-5-18/h1-5,19-22,25H,6-9,11-17H2/t20?,21?,22-/m1/s1
InChIKeyFXFHNEHARADBNL-LZBANZJXSA-N
XLogP2.35
TPSA51.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile with MolForge

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Related Compounds

US9994546, Example 2
CID 118292235
US9994546, Example 3
CID 118292326
US9994546, Example 33
CID 118292405
US9994546, Example 61
CID 118292439
US9994546, Example 86
CID 118297858
US9994546, Example 60
CID 118297878
US9994546, Example 75
CID 118297889
US9994546, Example 114
CID 118297901
US9994546, Example 59
CID 118297921
US9994546, Example 74
CID 118297924
US9994546, Example 108
CID 118297942
US9994546, Example 99
CID 118297944

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118297890) is 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOC2)C1.
What is the InChIKey of 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is FXFHNEHARADBNL-LZBANZJXSA-N. The full InChI is InChI=1S/C23H32N4O/c24-10-9-23(16-26(17-23)20-8-13-28-15-20)27-11-6-19(7-12-27)25-22-14-21(22)18-4-2-1-3-5-18/h1-5,19-22,25H,6-9,11-17H2/t20?,21?,22-/m1/s1.
What are the key properties of 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 380.54 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118297890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).