[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone

C31H41N5O2 — CID 26334496

IUPAC[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
SMILESCN(Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C31H41N5O2/c1-33(24-26-10-13-29-27(22-26)6-5-14-32-29)23-25-8-11-28(12-9-25)38-21-20-35-16-18-36(19-17-35)31(37)30-7-3-4-15-34(30)2/h5-6,8-14,22,30H,3-4,7,15-21,23-24H2,1-2H3/t30-/m1/s1
InChIKeyVRTBMOBVTDDRRL-SSEXGKCCSA-N
MW515.70 g/mol
LogP3.87
Rot. Bonds9

About [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone

[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone (PubChem CID 26334496) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
PubChem CID26334496
Molecular FormulaC31H41N5O2
Molecular Weight515.70 g/mol
Exact Mass515.33
IUPAC Name[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
SMILESCN(Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C31H41N5O2/c1-33(24-26-10-13-29-27(22-26)6-5-14-32-29)23-25-8-11-28(12-9-25)38-21-20-35-16-18-36(19-17-35)31(37)30-7-3-4-15-34(30)2/h5-6,8-14,22,30H,3-4,7,15-21,23-24H2,1-2H3/t30-/m1/s1
InChIKeyVRTBMOBVTDDRRL-SSEXGKCCSA-N
XLogP3.87
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.70
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

5,6-dimethyl-3-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 45237459
N-methyl-N-(quinolin-6-ylmethyl)-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethoxy]phenyl]methanamine
CID 118758008
1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 45238800
(2S)-1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 42544553
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 25326845
(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 125178920
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 26322409
(E)-1-[4-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 42432820
[4-[2-[4-[[1-benzothiophen-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 45244372
6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 45236897
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
[(4S)-2,2-dimethyloxan-4-yl]-[4-[2-[3-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
CID 29210246

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone (CID 26334496) is [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone is CN(Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1)Cc1ccc2ncccc2c1.
What is the InChIKey of [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone?
The InChIKey is VRTBMOBVTDDRRL-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-33(24-26-10-13-29-27(22-26)6-5-14-32-29)23-25-8-11-28(12-9-25)38-21-20-35-16-18-36(19-17-35)31(37)30-7-3-4-15-34(30)2/h5-6,8-14,22,30H,3-4,7,15-21,23-24H2,1-2H3/t30-/m1/s1.
What are the key properties of [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone?
[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone has a molecular weight of 515.70 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26334496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).