[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

C20H29NO2 — CID 60604837

IUPAC[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1
InChIInChI=1S/C20H29NO2/c1-23-15-17-9-11-18(12-10-17)20(22)21-13-5-8-19(21)14-16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3
InChIKeyQNQYPXWFJRDHGL-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.41
Rot. Bonds5

About [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 60604837) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID60604837
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1
InChIInChI=1S/C20H29NO2/c1-23-15-17-9-11-18(12-10-17)20(22)21-13-5-8-19(21)14-16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3
InChIKeyQNQYPXWFJRDHGL-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 79028319
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125010142
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone (CID 60604837) is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is QNQYPXWFJRDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-23-15-17-9-11-18(12-10-17)20(22)21-13-5-8-19(21)14-16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3.
What are the key properties of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 315.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 60604837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).