methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate

C22H34N4O3 — CID 42567842

IUPACmethyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1
InChIInChI=1S/C22H34N4O3/c1-17-5-4-6-19(23-17)15-25-11-9-20(10-12-25)26-13-7-18(8-14-26)22(28)24(2)16-21(27)29-3/h4-6,18,20H,7-16H2,1-3H3
InChIKeyKYFYKGYGMADERR-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate

methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate (PubChem CID 42567842) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
PubChem CID42567842
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Namemethyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1
InChIInChI=1S/C22H34N4O3/c1-17-5-4-6-19(23-17)15-25-11-9-20(10-12-25)26-13-7-18(8-14-26)22(28)24(2)16-21(27)29-3/h4-6,18,20H,7-16H2,1-3H3
InChIKeyKYFYKGYGMADERR-UHFFFAOYSA-N
XLogP1.70
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate with MolForge

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Related Compounds

N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 29153099
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 45228254
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 42287597
1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide
CID 25274740
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934
[6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234141
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate (CID 42567842) is methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1.
What is the InChIKey of methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate?
The InChIKey is KYFYKGYGMADERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17-5-4-6-19(23-17)15-25-11-9-20(10-12-25)26-13-7-18(8-14-26)22(28)24(2)16-21(27)29-3/h4-6,18,20H,7-16H2,1-3H3.
What are the key properties of methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate?
methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate has a molecular weight of 402.54 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 42567842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).