4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid

C16H29NO5 — CID 54240030

IUPAC4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOCCCC(=O)O)CC1
InChIInChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-9-6-13(7-10-17)8-12-21-11-4-5-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyQPJAZKBBKPNNAW-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.90
Rot. Bonds7

About 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid

4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid (PubChem CID 54240030) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid
PubChem CID54240030
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOCCCC(=O)O)CC1
InChIInChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-9-6-13(7-10-17)8-12-21-11-4-5-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyQPJAZKBBKPNNAW-UHFFFAOYSA-N
XLogP2.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid with MolForge

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Related Compounds

tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
CID 70323559
tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 160709457
tert-butyl 4-[(4Z)-4-amino-4-hydroxyiminobutyl]piperidine-1-carboxylate
CID 167508378
tert-butyl 4-(2-methylsulfonyloxyethyl)piperidine-1-carboxylate;methanesulfonyl chloride
CID 175544616
tert-butyl 4-[[2-(2-methoxyethoxy)ethylamino]methyl]piperidine-1-carboxylate
CID 103730211
tert-butyl 4-[5-(1-chloroethoxy)-5-oxopentyl]piperidine-1-carboxylate
CID 68522837
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
tert-butyl 4-oct-7-ynylpiperidine-1-carboxylate
CID 170900277

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid?
The IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid (CID 54240030) is 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid.
What is the SMILES notation for 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid?
The canonical SMILES for 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid is CC(C)(C)OC(=O)N1CCC(CCOCCCC(=O)O)CC1.
What is the InChIKey of 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid?
The InChIKey is QPJAZKBBKPNNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-16(2,3)22-15(20)17-9-6-13(7-10-17)8-12-21-11-4-5-14(18)19/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid?
4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid has a molecular weight of 315.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid is sourced from PubChem (CID 54240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).