2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid

C24H35NO3 — CID 153098360

IUPAC2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCOCC1(CC[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C24H35NO3/c1-28-18-23(11-8-20-16-21(20)19-6-3-2-4-7-19)12-14-25(15-13-23)24(9-5-10-24)17-22(26)27/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,26,27)/t20-,21?/m1/s1
InChIKeyVQONHTYBRKQPCX-VQCQRNETSA-N
MW385.55 g/mol
LogP4.70
Rot. Bonds9

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

2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid (PubChem CID 153098360) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid
PubChem CID153098360
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESCOCC1(CC[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C24H35NO3/c1-28-18-23(11-8-20-16-21(20)19-6-3-2-4-7-19)12-14-25(15-13-23)24(9-5-10-24)17-22(26)27/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,26,27)/t20-,21?/m1/s1
InChIKeyVQONHTYBRKQPCX-VQCQRNETSA-N
XLogP4.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
CID 147281446
2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 118297869
1-[[4-[2-[(1R)-2-(3,4-difluorophenyl)cyclopropyl]ethyl]-4-(methoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 148626798
3-[4-[(5-fluoropyrimidin-2-yl)oxymethyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]propanoic acid
CID 161315209
2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]azetidin-3-yl]acetic acid
CID 153073506
4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
CID 158367055
1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate
CID 158999954
1-[[4-[(3-fluorophenoxy)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 160617512
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
6-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 118301996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid (CID 153098360) is 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid is COCC1(CC[C@@H]2CC2c2ccccc2)CCN(C2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid?
The InChIKey is VQONHTYBRKQPCX-VQCQRNETSA-N. The full InChI is InChI=1S/C24H35NO3/c1-28-18-23(11-8-20-16-21(20)19-6-3-2-4-7-19)12-14-25(15-13-23)24(9-5-10-24)17-22(26)27/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,26,27)/t20-,21?/m1/s1.
What are the key properties of 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid?
2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid has a molecular weight of 385.55 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid is sourced from PubChem (CID 153098360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).