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

C21H30N4 — CID 118292291

IUPAC2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESCN1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C21H30N4/c1-24-11-8-21(7-10-22,9-12-24)25-15-17(16-25)14-23-20-13-19(20)18-5-3-2-4-6-18/h2-6,17,19-20,23H,7-9,11-16H2,1H3
InChIKeyFDRSPKPJWQDXPR-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.44
Rot. Bonds6

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

2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (PubChem CID 118292291) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
PubChem CID118292291
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
SMILESCN1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C21H30N4/c1-24-11-8-21(7-10-22,9-12-24)25-15-17(16-25)14-23-20-13-19(20)18-5-3-2-4-6-18/h2-6,17,19-20,23H,7-9,11-16H2,1H3
InChIKeyFDRSPKPJWQDXPR-UHFFFAOYSA-N
XLogP2.44
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Gsk-lsd1
CID 71522234
GSK-LSD1 Dihydrochloride
CID 91663353
N-(2,2-diphenylethyl)-1-propyl-piperidin-4-amine
CID 2846415
trans-(1S,2R)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 60203904
N-(2-phenylcyclopropyl)piperidin-4-amine
CID 61815034
[trans-2-Phenylcyclopropyl](4-piperidinylmethyl)amine
CID 66571530
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641127
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 156019377
N-(2-phenylpropyl)-1-propylpiperidin-4-amine
CID 2846253
1-Benzyl-4-(isopropylamino)piperidine-4-carbonitrile
CID 70568
US9994546, Example 102
CID 118297864

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile (CID 118292291) is 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is CN1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
The InChIKey is FDRSPKPJWQDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-24-11-8-21(7-10-22,9-12-24)25-15-17(16-25)14-23-20-13-19(20)18-5-3-2-4-6-18/h2-6,17,19-20,23H,7-9,11-16H2,1H3.
What are the key properties of 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile?
2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile has a molecular weight of 338.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 118292291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).