N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide

C19H37N3O2 — CID 120642892

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCCCN2CC(C)CC(C)C2)CCNCC1
InChIInChI=1S/C19H37N3O2/c1-16-12-17(2)14-22(13-16)11-5-4-8-21-18(23)19(15-24-3)6-9-20-10-7-19/h16-17,20H,4-15H2,1-3H3,(H,21,23)
InChIKeyBXFOZDXERRYEOS-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.88
Rot. Bonds8

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120642892) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120642892
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCCCN2CC(C)CC(C)C2)CCNCC1
InChIInChI=1S/C19H37N3O2/c1-16-12-17(2)14-22(13-16)11-5-4-8-21-18(23)19(15-24-3)6-9-20-10-7-19/h16-17,20H,4-15H2,1-3H3,(H,21,23)
InChIKeyBXFOZDXERRYEOS-UHFFFAOYSA-N
XLogP1.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
methyl 2-[2-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetate
CID 120631431
4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 120642550
N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617106
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
N-(3-benzylsulfonylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120622941
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120642892) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCCCN2CC(C)CC(C)C2)CCNCC1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is BXFOZDXERRYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-16-12-17(2)14-22(13-16)11-5-4-8-21-18(23)19(15-24-3)6-9-20-10-7-19/h16-17,20H,4-15H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120642892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).