N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide

C25H38N4O2 — CID 118297908

IUPACN-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1
InChIInChI=1S/C25H38N4O2/c1-26-24(30)16-25(17-28(18-25)21-9-13-31-14-10-21)29-11-7-20(8-12-29)27-23-15-22(23)19-5-3-2-4-6-19/h2-6,20-23,27H,7-18H2,1H3,(H,26,30)/t22?,23-/m1/s1
InChIKeyYTYGTJZJVBJLQJ-OZAIVSQSSA-N
MW426.61 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide

N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide (PubChem CID 118297908) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
PubChem CID118297908
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1
InChIInChI=1S/C25H38N4O2/c1-26-24(30)16-25(17-28(18-25)21-9-13-31-14-10-21)29-11-7-20(8-12-29)27-23-15-22(23)19-5-3-2-4-6-19/h2-6,20-23,27H,7-18H2,1H3,(H,26,30)/t22?,23-/m1/s1
InChIKeyYTYGTJZJVBJLQJ-OZAIVSQSSA-N
XLogP1.97
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24794263
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 24791758
US9994546, Example 52
CID 118292324
US9994546, Example 51
CID 118292333
US9994546, Example 75
CID 118297889
US9994546, Example 114
CID 118297901
US9994546, Example 95
CID 118297903
US9994546, Example 90
CID 118297905
US9994546, Example 97
CID 118297907
US9994546, Example 91
CID 118297934
US9994546, Example 94
CID 118297936
US9994546, Example 96
CID 118297938

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide (CID 118297908) is N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide is CNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1.
What is the InChIKey of N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The InChIKey is YTYGTJZJVBJLQJ-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-26-24(30)16-25(17-28(18-25)21-9-13-31-14-10-21)29-11-7-20(8-12-29)27-23-15-22(23)19-5-3-2-4-6-19/h2-6,20-23,27H,7-18H2,1H3,(H,26,30)/t22?,23-/m1/s1.
What are the key properties of N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide has a molecular weight of 426.61 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118297908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).