2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid

C20H28N2O4 — CID 124751060

IUPAC2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(22-10-11-26-15-18(22)13-20(24)25)12-16-6-8-21(9-7-16)14-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,24,25)/t18-/m1/s1
InChIKeyFSIQSWOVUKUYGA-GOSISDBHSA-N
MW360.45 g/mol
LogP1.99
Rot. Bonds6

About 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid (PubChem CID 124751060) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
PubChem CID124751060
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(22-10-11-26-15-18(22)13-20(24)25)12-16-6-8-21(9-7-16)14-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,24,25)/t18-/m1/s1
InChIKeyFSIQSWOVUKUYGA-GOSISDBHSA-N
XLogP1.99
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 175649098
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901337
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid (CID 124751060) is 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid?
The InChIKey is FSIQSWOVUKUYGA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(22-10-11-26-15-18(22)13-20(24)25)12-16-6-8-21(9-7-16)14-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,24,25)/t18-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid has a molecular weight of 360.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 124751060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).