(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate

C24H25NO3 — CID 10690882

IUPAC(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-27-23-14-21-10-6-5-9-20(21)13-22(23)24(26)28-17-19-11-12-25(16-19)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-17H2,1H3
InChIKeyDQVBBLPRBXLLEL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds6

About (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate

(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate (PubChem CID 10690882) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate
PubChem CID10690882
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-27-23-14-21-10-6-5-9-20(21)13-22(23)24(26)28-17-19-11-12-25(16-19)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-17H2,1H3
InChIKeyDQVBBLPRBXLLEL-UHFFFAOYSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrrolidin-3-yl)methyl 4-chlorobenzoate;hydrochloride
CID 44533091
[(3R)-1-benzylpyrrolidin-3-yl]methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 97090874
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
2-[3-(1-benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid;hydrochloride
CID 169490787
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
1-benzyl-3-ethylpyrrolidine
CID 12648208
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
CID 125169754

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate (CID 10690882) is (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate?
The InChIKey is DQVBBLPRBXLLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-23-14-21-10-6-5-9-20(21)13-22(23)24(26)28-17-19-11-12-25(16-19)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-17H2,1H3.
What are the key properties of (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate?
(1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)methyl 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10690882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).