[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C18H26N2O2 — CID 126509276

IUPAC[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CC(COCc2ccccc2)CN1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-9-5-2-6-10-20)17-11-16(12-19-17)14-22-13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2/t16?,17-/m0/s1
InChIKeyNUNGKNKDKSTANJ-DJNXLDHESA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds5

About [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 126509276) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID126509276
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CC(COCc2ccccc2)CN1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-9-5-2-6-10-20)17-11-16(12-19-17)14-22-13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2/t16?,17-/m0/s1
InChIKeyNUNGKNKDKSTANJ-DJNXLDHESA-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]-pyrrolidin-2-ylmethanone
CID 119336604
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
CID 126574351
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 126509276) is [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@@H]1CC(COCc2ccccc2)CN1)N1CCCCC1.
What is the InChIKey of [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is NUNGKNKDKSTANJ-DJNXLDHESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(20-9-5-2-6-10-20)17-11-16(12-19-17)14-22-13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2/t16?,17-/m0/s1.
What are the key properties of [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-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 [(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 126509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).