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

C21H32N4O — CID 118292333

IUPACN-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCNC(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C21H32N4O/c1-22-20(26)12-21(14-23-15-21)25-9-7-16(8-10-25)13-24-19-11-18(19)17-5-3-2-4-6-17/h2-6,16,18-19,23-24H,7-15H2,1H3,(H,22,26)
InChIKeyCNQGUUGQPWCPFS-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.32
Rot. Bonds7

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

N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide (PubChem CID 118292333) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
PubChem CID118292333
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide
SMILESCNC(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1
InChIInChI=1S/C21H32N4O/c1-22-20(26)12-21(14-23-15-21)25-9-7-16(8-10-25)13-24-19-11-18(19)17-5-3-2-4-6-17/h2-6,16,18-19,23-24H,7-15H2,1H3,(H,22,26)
InChIKeyCNQGUUGQPWCPFS-UHFFFAOYSA-N
XLogP1.32
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide (CID 118292333) is N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide is CNC(=O)CC1(N2CCC(CNC3CC3c3ccccc3)CC2)CNC1.
What is the InChIKey of N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
The InChIKey is CNQGUUGQPWCPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-22-20(26)12-21(14-23-15-21)25-9-7-16(8-10-25)13-24-19-11-18(19)17-5-3-2-4-6-17/h2-6,16,18-19,23-24H,7-15H2,1H3,(H,22,26).
What are the key properties of N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide?
N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 118292333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).