2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid

C19H34N4O4 — CID 19071024

IUPAC2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCN1CCC(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C19H34N4O4/c1-20-7-4-16(5-8-20)3-2-6-23-14-17(27-19(23)26)13-21-9-11-22(12-10-21)15-18(24)25/h16-17H,2-15H2,1H3,(H,24,25)
InChIKeyUDOQTVRKDGLGSP-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.63
Rot. Bonds8

About 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid

2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 19071024) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID19071024
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Name2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCN1CCC(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C19H34N4O4/c1-20-7-4-16(5-8-20)3-2-6-23-14-17(27-19(23)26)13-21-9-11-22(12-10-21)15-18(24)25/h16-17H,2-15H2,1H3,(H,24,25)
InChIKeyUDOQTVRKDGLGSP-UHFFFAOYSA-N
XLogP0.63
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid with MolForge

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Related Compounds

3-Hexyl-8-[(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516
3-(1-BOC-4-piperidyl)-5-[4-(methoxycarbonylmethyl)piperazino]methyloxazolidin-2-one
CID 15340897
Methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071006
2-[4-[[3-[3-(4-Ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071007
Methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071008
2-[4-[[3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071010
Methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071015
3-[4-[[3-[4-(1-Tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071026
3-[4-[[3-[2-(1-Cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071036
Methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071037
4-[4-[[3-[3-(1-Methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoic acid
CID 19071047
4-[4-[[2-Oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoic acid
CID 19071059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (CID 19071024) is 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is CN1CCC(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1.
What is the InChIKey of 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is UDOQTVRKDGLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-20-7-4-16(5-8-20)3-2-6-23-14-17(27-19(23)26)13-21-9-11-22(12-10-21)15-18(24)25/h16-17H,2-15H2,1H3,(H,24,25).
What are the key properties of 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 382.51 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 19071024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).