[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

C19H26N2O3 — CID 51098117

IUPAC[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1cccc(C(=O)N2CCCCC2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N2O3/c1-24-14-15-7-6-8-16(13-15)18(22)21-12-3-2-9-17(21)19(23)20-10-4-5-11-20/h6-8,13,17H,2-5,9-12,14H2,1H3
InChIKeyRSKJZUBJDPCFHM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.45
Rot. Bonds4

About [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51098117) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID51098117
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1cccc(C(=O)N2CCCCC2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N2O3/c1-24-14-15-7-6-8-16(13-15)18(22)21-12-3-2-9-17(21)19(23)20-10-4-5-11-20/h6-8,13,17H,2-5,9-12,14H2,1H3
InChIKeyRSKJZUBJDPCFHM-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
2-hydroxy-1-[(2S)-1-[(2S)-1-[3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 10875058
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
2-[acetyl-[(4R)-1-[3-(methoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129342522
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 51098117) is [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is COCc1cccc(C(=O)N2CCCCC2C(=O)N2CCCC2)c1.
What is the InChIKey of [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RSKJZUBJDPCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-14-15-7-6-8-16(13-15)18(22)21-12-3-2-9-17(21)19(23)20-10-4-5-11-20/h6-8,13,17H,2-5,9-12,14H2,1H3.
What are the key properties of [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51098117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).