2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

C22H32N2O2 — CID 118297869

IUPAC2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-21(16-23-19-14-18(19)17-6-3-2-4-7-17)10-12-24(13-11-21)22(8-5-9-22)15-20(25)26/h2-4,6-7,18-19,23H,5,8-16H2,1H3,(H,25,26)/t18?,19-/m1/s1
InChIKeyZQLIYVSBBTXGFL-MUMRKEEXSA-N
MW356.51 g/mol
LogP3.63
Rot. Bonds7

About 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (PubChem CID 118297869) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
PubChem CID118297869
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-21(16-23-19-14-18(19)17-6-3-2-4-7-17)10-12-24(13-11-21)22(8-5-9-22)15-20(25)26/h2-4,6-7,18-19,23H,5,8-16H2,1H3,(H,25,26)/t18?,19-/m1/s1
InChIKeyZQLIYVSBBTXGFL-MUMRKEEXSA-N
XLogP3.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid with MolForge

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Related Compounds

(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290778
N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
CID 147281446
2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 153098360
(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302763
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155265856
5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 118290921
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155266125
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
2-[5-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]acetic acid
CID 155266723
2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]azetidin-3-yl]acetic acid
CID 153073506

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (CID 118297869) is 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is CC1(CN[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The InChIKey is ZQLIYVSBBTXGFL-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(16-23-19-14-18(19)17-6-3-2-4-7-17)10-12-24(13-11-21)22(8-5-9-22)15-20(25)26/h2-4,6-7,18-19,23H,5,8-16H2,1H3,(H,25,26)/t18?,19-/m1/s1.
What are the key properties of 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid has a molecular weight of 356.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is sourced from PubChem (CID 118297869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).