1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid

C23H34N2O3 — CID 139515845

IUPAC1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCC(CNC3CC3)(COCc3ccccc3)CC2)CCC1
InChIInChI=1S/C23H34N2O3/c26-21(27)23(9-4-10-23)17-25-13-11-22(12-14-25,16-24-20-7-8-20)18-28-15-19-5-2-1-3-6-19/h1-3,5-6,20,24H,4,7-18H2,(H,26,27)
InChIKeyLVGYKQYBDULWKY-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.29
Rot. Bonds10

About 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid

1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 139515845) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID139515845
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCC(CNC3CC3)(COCc3ccccc3)CC2)CCC1
InChIInChI=1S/C23H34N2O3/c26-21(27)23(9-4-10-23)17-25-13-11-22(12-14-25,16-24-20-7-8-20)18-28-15-19-5-2-1-3-6-19/h1-3,5-6,20,24H,4,7-18H2,(H,26,27)
InChIKeyLVGYKQYBDULWKY-UHFFFAOYSA-N
XLogP3.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

benzene;1-[[4-[(cyclopropylamino)methyl]-4-(ethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 144903336
benzyl 1-[[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 145259527
1-[[4-[(cyclopropylamino)methyl]-4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 139515811
benzene;1-[[4-[(3-cyanophenoxy)methyl]-4-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 144903301
1-[[4-[(cyclopropylamino)methyl]-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 139515915
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
tert-butyl 1-[[4-(cyclobutylmethoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 118290786
1-[[4-[(5-fluoro-2-pyridinyl)oxymethyl]-4-[[[(1R,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 144903339
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 139515845) is 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CN2CCC(CNC3CC3)(COCc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is LVGYKQYBDULWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c26-21(27)23(9-4-10-23)17-25-13-11-22(12-14-25,16-24-20-7-8-20)18-28-15-19-5-2-1-3-6-19/h1-3,5-6,20,24H,4,7-18H2,(H,26,27).
What are the key properties of 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 386.54 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 139515845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).