N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide

C19H35N3O3 — CID 120624231

IUPACN-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2(COC)CCNCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-4-5-12-21(2)17(23)16-6-13-22(14-7-16)18(24)19(15-25-3)8-10-20-11-9-19/h16,20H,4-15H2,1-3H3
InChIKeyMZCMIBQPEHOWFE-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.50
Rot. Bonds7

About N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 120624231) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID120624231
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC NameN-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2(COC)CCNCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-4-5-12-21(2)17(23)16-6-13-22(14-7-16)18(24)19(15-25-3)8-10-20-11-9-19/h16,20H,4-15H2,1-3H3
InChIKeyMZCMIBQPEHOWFE-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
CID 120646385
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
CID 102560286
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
N-cyclohexyl-2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 120646192
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide (CID 120624231) is N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2(COC)CCNCC2)CC1.
What is the InChIKey of N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is MZCMIBQPEHOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-4-5-12-21(2)17(23)16-6-13-22(14-7-16)18(24)19(15-25-3)8-10-20-11-9-19/h16,20H,4-15H2,1-3H3.
What are the key properties of N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120624231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).