1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C21H26N2O4 — CID 72871808

IUPAC1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCc2ccccc21)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26N2O4/c24-18(15-9-12-23(13-10-15)19(25)16-7-8-16)22-21(20(26)27)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6,15-16H,3,5,7-13H2,(H,22,24)(H,26,27)
InChIKeyYIMLHIBFJXTTAF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.07
Rot. Bonds4

About 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 72871808) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID72871808
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCc2ccccc21)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26N2O4/c24-18(15-9-12-23(13-10-15)19(25)16-7-8-16)22-21(20(26)27)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6,15-16H,3,5,7-13H2,(H,22,24)(H,26,27)
InChIKeyYIMLHIBFJXTTAF-UHFFFAOYSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid with MolForge

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Related Compounds

1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 60797313
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 72871808) is 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is O=C(NC1(C(=O)O)CCCc2ccccc21)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is YIMLHIBFJXTTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-18(15-9-12-23(13-10-15)19(25)16-7-8-16)22-21(20(26)27)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6,15-16H,3,5,7-13H2,(H,22,24)(H,26,27).
What are the key properties of 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 72871808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).