4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

C16H31N3O2 — CID 120642550

IUPAC4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCN2CCCCC2C)CCNCC1
InChIInChI=1S/C16H31N3O2/c1-14-5-3-4-11-19(14)12-10-18-15(20)16(13-21-2)6-8-17-9-7-16/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyREJULEPVJZUZQU-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.99
Rot. Bonds6

About 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 120642550) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID120642550
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCN2CCCCC2C)CCNCC1
InChIInChI=1S/C16H31N3O2/c1-14-5-3-4-11-19(14)12-10-18-15(20)16(13-21-2)6-8-17-9-7-16/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyREJULEPVJZUZQU-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120646176
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 122567105
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
methyl 2-[2-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetate
CID 120631431
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
methyl 4-[[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoylamino]methyl]benzoate
CID 51957643
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 120642550) is 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is COCC1(C(=O)NCCN2CCCCC2C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is REJULEPVJZUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14-5-3-4-11-19(14)12-10-18-15(20)16(13-21-2)6-8-17-9-7-16/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120642550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).