[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

C20H24N2O2 — CID 119490079

IUPAC[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-21-18-6-5-13-22(14-18)20(23)17-11-9-16(10-12-17)15-24-19-7-3-2-4-8-19/h2-4,7-12,18,21H,5-6,13-15H2,1H3
InChIKeyHSFZTDAFUGYGJJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds5

About [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (PubChem CID 119490079) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
PubChem CID119490079
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-21-18-6-5-13-22(14-18)20(23)17-11-9-16(10-12-17)15-24-19-7-3-2-4-8-19/h2-4,7-12,18,21H,5-6,13-15H2,1H3
InChIKeyHSFZTDAFUGYGJJ-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
tert-butyl N-methyl-N-[[(3S)-1-[4-(phenoxymethyl)benzoyl]piperidin-3-yl]methyl]carbamate
CID 95154618

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (CID 119490079) is [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is CNC1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The InChIKey is HSFZTDAFUGYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-18-6-5-13-22(14-18)20(23)17-11-9-16(10-12-17)15-24-19-7-3-2-4-8-19/h2-4,7-12,18,21H,5-6,13-15H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 119490079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).