1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid

C19H26N2O5 — CID 122010748

IUPAC1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CCCC(C(=O)O)C2)C1Oc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-2-25-16-11-15(17(16)26-14-8-4-3-5-9-14)20-19(24)21-10-6-7-13(12-21)18(22)23/h3-5,8-9,13,15-17H,2,6-7,10-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyWTSZZFLAVGJRFP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.12
Rot. Bonds6

About 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid

1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122010748) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122010748
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CCCC(C(=O)O)C2)C1Oc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-2-25-16-11-15(17(16)26-14-8-4-3-5-9-14)20-19(24)21-10-6-7-13(12-21)18(22)23/h3-5,8-9,13,15-17H,2,6-7,10-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyWTSZZFLAVGJRFP-UHFFFAOYSA-N
XLogP2.12
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122002970
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119833
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid (CID 122010748) is 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid is CCOC1CC(NC(=O)N2CCCC(C(=O)O)C2)C1Oc1ccccc1.
What is the InChIKey of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WTSZZFLAVGJRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-25-16-11-15(17(16)26-14-8-4-3-5-9-14)20-19(24)21-10-6-7-13(12-21)18(22)23/h3-5,8-9,13,15-17H,2,6-7,10-12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122010748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).