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

C18H26N2O2 — CID 119336588

IUPAC[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c21-18(17-8-4-5-10-19-17)20-11-9-16(12-20)14-22-13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyLYUCCCGWQKRBCO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds5

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

[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 119336588) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
PubChem CID119336588
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c21-18(17-8-4-5-10-19-17)20-11-9-16(12-20)14-22-13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyLYUCCCGWQKRBCO-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
CID 67755202
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 124699470
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 126509276

Frequently Asked Questions

What is the IUPAC name of [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone (CID 119336588) is [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is LYUCCCGWQKRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(17-8-4-5-10-19-17)20-11-9-16(12-20)14-22-13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2.
What are the key properties of [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone?
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 119336588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).