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

C19H30N4O2 — CID 124732005

IUPACmethyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1
InChIInChI=1S/C19H30N4O2/c1-15-13-22(14-17-5-3-4-9-20-17)10-8-18(15)21-16-6-11-23(12-7-16)19(24)25-2/h3-5,9,15-16,18,21H,6-8,10-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyJHILCBKPICJRBA-CRAIPNDOSA-N
MW346.47 g/mol
LogP2.11
Rot. Bonds4

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

methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 124732005) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID124732005
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Namemethyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1
InChIInChI=1S/C19H30N4O2/c1-15-13-22(14-17-5-3-4-9-20-17)10-8-18(15)21-16-6-11-23(12-7-16)19(24)25-2/h3-5,9,15-16,18,21H,6-8,10-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyJHILCBKPICJRBA-CRAIPNDOSA-N
XLogP2.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
CID 86962306
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 124735936

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate (CID 124732005) is methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1.
What is the InChIKey of methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is JHILCBKPICJRBA-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-13-22(14-17-5-3-4-9-20-17)10-8-18(15)21-16-6-11-23(12-7-16)19(24)25-2/h3-5,9,15-16,18,21H,6-8,10-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 124732005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).