6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid

C20H22N2O3 — CID 167783469

IUPAC6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
SMILESC=CCN1CCC(NC(=O)c2ccc3cc(C(=O)O)ccc3c2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-9-22-10-7-18(8-11-22)21-19(23)16-5-3-15-13-17(20(24)25)6-4-14(15)12-16/h2-6,12-13,18H,1,7-11H2,(H,21,23)(H,24,25)
InChIKeyCNPXJHHGAAOHAL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds5

About 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid

6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid (PubChem CID 167783469) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
PubChem CID167783469
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
SMILESC=CCN1CCC(NC(=O)c2ccc3cc(C(=O)O)ccc3c2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-9-22-10-7-18(8-11-22)21-19(23)16-5-3-15-13-17(20(24)25)6-4-14(15)12-16/h2-6,12-13,18H,1,7-11H2,(H,21,23)(H,24,25)
InChIKeyCNPXJHHGAAOHAL-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid (CID 167783469) is 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid is C=CCN1CCC(NC(=O)c2ccc3cc(C(=O)O)ccc3c2)CC1.
What is the InChIKey of 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid?
The InChIKey is CNPXJHHGAAOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-9-22-10-7-18(8-11-22)21-19(23)16-5-3-15-13-17(20(24)25)6-4-14(15)12-16/h2-6,12-13,18H,1,7-11H2,(H,21,23)(H,24,25).
What are the key properties of 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid?
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 167783469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).