N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide

C14H24N4O2 — CID 156834820

IUPACN-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide
SMILESCCON(C(C)=O)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C14H24N4O2/c1-4-20-18(12(2)19)13-6-5-8-17(10-13)11-14-15-7-9-16(14)3/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyVFAVRWVRCZTONW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.18
Rot. Bonds5

About N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide

N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 156834820) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide
PubChem CID156834820
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide
SMILESCCON(C(C)=O)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C14H24N4O2/c1-4-20-18(12(2)19)13-6-5-8-17(10-13)11-14-15-7-9-16(14)3/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyVFAVRWVRCZTONW-UHFFFAOYSA-N
XLogP1.18
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
1-cyclopentyl-3-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 56754673
1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95218100
1-[6-hydroxy-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72858575
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 97101306
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
(3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 3737844

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide (CID 156834820) is N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide is CCON(C(C)=O)C1CCCN(Cc2nccn2C)C1.
What is the InChIKey of N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is VFAVRWVRCZTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-18(12(2)19)13-6-5-8-17(10-13)11-14-15-7-9-16(14)3/h7,9,13H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide?
N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 156834820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).