N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C19H33N5O2 — CID 56745096

IUPACN-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-22-12-7-20-18(22)15-23-10-5-17(6-11-23)24-9-3-4-16(14-24)19(25)21-8-13-26-2/h7,12,16-17H,3-6,8-11,13-15H2,1-2H3,(H,21,25)
InChIKeyOMUVHOFRJQLGOI-UHFFFAOYSA-N
MW363.51 g/mol
LogP0.86
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56745096) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56745096
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-22-12-7-20-18(22)15-23-10-5-17(6-11-23)24-9-3-4-16(14-24)19(25)21-8-13-26-2/h7,12,16-17H,3-6,8-11,13-15H2,1-2H3,(H,21,25)
InChIKeyOMUVHOFRJQLGOI-UHFFFAOYSA-N
XLogP0.86
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-(3-methoxypropyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70740562
1-acetyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
CID 72150073
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}methyl)-2,2-dimethylpropanamide
CID 56742435
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylacetamide
CID 56892678
2-[3-(1H-imidazol-1-yl)propyl]-9-(3-morpholinylacetyl)-2,9-diazaspiro[5.5]undecan-3-one dihydrochloride
CID 72837357

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56745096) is N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3nccn3C)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is OMUVHOFRJQLGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-22-12-7-20-18(22)15-23-10-5-17(6-11-23)24-9-3-4-16(14-24)19(25)21-8-13-26-2/h7,12,16-17H,3-6,8-11,13-15H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).