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

C26H40N4O2 — CID 118297951

IUPACN,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1
InChIInChI=1S/C26H40N4O2/c1-28(2)25(31)17-26(18-29(19-26)22-10-14-32-15-11-22)30-12-8-21(9-13-30)27-24-16-23(24)20-6-4-3-5-7-20/h3-7,21-24,27H,8-19H2,1-2H3/t23?,24-/m1/s1
InChIKeyJBMXDXFJXJLJSZ-XMMISQBUSA-N
MW440.63 g/mol
LogP2.31
Rot. Bonds7

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

N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide (PubChem CID 118297951) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
PubChem CID118297951
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1
InChIInChI=1S/C26H40N4O2/c1-28(2)25(31)17-26(18-29(19-26)22-10-14-32-15-11-22)30-12-8-21(9-13-30)27-24-16-23(24)20-6-4-3-5-7-20/h3-7,21-24,27H,8-19H2,1-2H3/t23?,24-/m1/s1
InChIKeyJBMXDXFJXJLJSZ-XMMISQBUSA-N
XLogP2.31
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 122
CID 118297908
US9994546, Example 91
CID 118297934
US9994546, Example 94
CID 118297936

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide (CID 118297951) is N,N-dimethyl-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,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide is CN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C2CCOCC2)C1.
What is the InChIKey of N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
The InChIKey is JBMXDXFJXJLJSZ-XMMISQBUSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-28(2)25(31)17-26(18-29(19-26)22-10-14-32-15-11-22)30-12-8-21(9-13-30)27-24-16-23(24)20-6-4-3-5-7-20/h3-7,21-24,27H,8-19H2,1-2H3/t23?,24-/m1/s1.
What are the key properties of N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide?
N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide has a molecular weight of 440.63 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(oxan-4-yl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118297951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).