N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide

C29H30FN3O3 — CID 56678087

IUPACN-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(C(=O)c2ccccc2O)CC1)NC1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35)
InChIKeyTVBOHVNCFNQWSW-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.24
Rot. Bonds5

About N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide

N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide (PubChem CID 56678087) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
PubChem CID56678087
Molecular FormulaC29H30FN3O3
Molecular Weight487.58 g/mol
Exact Mass487.23
IUPAC NameN-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(C(=O)c2ccccc2O)CC1)NC1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35)
InChIKeyTVBOHVNCFNQWSW-UHFFFAOYSA-N
XLogP4.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-6-methoxybenzoyl)piperidin-4-ylidene]acetamide
CID 45273639
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxybenzoyl)piperidin-4-ylidene]acetamide
CID 45273632
methyl 2-[4-[2-[[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethylidene]piperidine-1-carbonyl]pyridine-3-carboxylate
CID 139984156
N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide
CID 159264199
2-(1-acetylpiperidin-4-ylidene)-N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]acetamide;2-[1-(3-fluorobenzoyl)piperidin-4-ylidene]-N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]acetamide;2-[1-(4-fluorobenzoyl)piperidin-4-ylidene]-N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]acetamide;4-fluoro-N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]benzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide;molecular hydrogen
CID 161230775
sodium 4-[2-[[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethylidene]cyclohexane-1-carboxylate
CID 139984148
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-ylidene]-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 45271892
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71460524
1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea
CID 10151120
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
4-[(6-fluoronaphthalen-2-yl)methyl]-N-[1-(2-hydroxyphenyl)sulfonylpiperidin-4-yl]-1,4-diazepane-1-carboxamide
CID 71453337

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide?
The IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide (CID 56678087) is N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide.
What is the SMILES notation for N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide?
The canonical SMILES for N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide is O=C(C=C1CCN(C(=O)c2ccccc2O)CC1)NC1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide?
The InChIKey is TVBOHVNCFNQWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35).
What are the key properties of N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide?
N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide has a molecular weight of 487.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide is sourced from PubChem (CID 56678087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).