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

C22H34N4O — CID 118292324

IUPACN,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCN(C)C(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C22H34N4O/c1-25(2)21(27)13-22(15-23-16-22)26-10-8-17(9-11-26)14-24-20-12-19(20)18-6-4-3-5-7-18/h3-7,17,19-20,23-24H,8-16H2,1-2H3
InChIKeyDRVWXLVQFOVCQI-UHFFFAOYSA-N
MW370.54 g/mol
LogP1.66
Rot. Bonds7

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

N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide (PubChem CID 118292324) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
PubChem CID118292324
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCN(C)C(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C22H34N4O/c1-25(2)21(27)13-22(15-23-16-22)26-10-8-17(9-11-26)14-24-20-12-19(20)18-6-4-3-5-7-18/h3-7,17,19-20,23-24H,8-16H2,1-2H3
InChIKeyDRVWXLVQFOVCQI-UHFFFAOYSA-N
XLogP1.66
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide (CID 118292324) is N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide is CN(C)C(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The InChIKey is DRVWXLVQFOVCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-25(2)21(27)13-22(15-23-16-22)26-10-8-17(9-11-26)14-24-20-12-19(20)18-6-4-3-5-7-18/h3-7,17,19-20,23-24H,8-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide has a molecular weight of 370.54 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118292324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).