methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate

C21H33N3O2 — CID 91653500

IUPACmethyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC2CCN(Cc3ccccn3)CC2C)CCCCC1
InChIInChI=1S/C21H33N3O2/c1-17-14-24(15-18-8-4-7-12-22-18)13-9-19(17)23-16-21(20(25)26-2)10-5-3-6-11-21/h4,7-8,12,17,19,23H,3,5-6,9-11,13-16H2,1-2H3
InChIKeyGRJNPEFJBZCTGU-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.01
Rot. Bonds6

About methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate

methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 91653500) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID91653500
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Namemethyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC2CCN(Cc3ccccn3)CC2C)CCCCC1
InChIInChI=1S/C21H33N3O2/c1-17-14-24(15-18-8-4-7-12-22-18)13-9-19(17)23-16-21(20(25)26-2)10-5-3-6-11-21/h4,7-8,12,17,19,23H,3,5-6,9-11,13-16H2,1-2H3
InChIKeyGRJNPEFJBZCTGU-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 86818582
4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
CID 86962306
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate (CID 91653500) is methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC2CCN(Cc3ccccn3)CC2C)CCCCC1.
What is the InChIKey of methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is GRJNPEFJBZCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-14-24(15-18-8-4-7-12-22-18)13-9-19(17)23-16-21(20(25)26-2)10-5-3-6-11-21/h4,7-8,12,17,19,23H,3,5-6,9-11,13-16H2,1-2H3.
What are the key properties of methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate?
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 359.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 91653500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).