1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H24N2O5 — CID 122076597

IUPAC1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H24N2O5/c21-17(22)13-3-1-9-20(11-13)18(23)19-14-5-7-15(8-6-14)25-12-16-4-2-10-24-16/h5-8,13,16H,1-4,9-12H2,(H,19,23)(H,21,22)
InChIKeyDXHKDBCNLQOZMW-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.57
Rot. Bonds5

About 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122076597) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122076597
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H24N2O5/c21-17(22)13-3-1-9-20(11-13)18(23)19-14-5-7-15(8-6-14)25-12-16-4-2-10-24-16/h5-8,13,16H,1-4,9-12H2,(H,19,23)(H,21,22)
InChIKeyDXHKDBCNLQOZMW-UHFFFAOYSA-N
XLogP2.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94148337
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 134813193
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131919419
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 4958027

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122076597) is 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ccc(OCC3CCCO3)cc2)C1.
What is the InChIKey of 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DXHKDBCNLQOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-17(22)13-3-1-9-20(11-13)18(23)19-14-5-7-15(8-6-14)25-12-16-4-2-10-24-16/h5-8,13,16H,1-4,9-12H2,(H,19,23)(H,21,22).
What are the key properties of 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122076597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).