N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide

C13H22N4O — CID 91841424

IUPACN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCCn1cncc1CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H22N4O/c1-3-17-10-14-8-13(17)9-16-6-4-12(5-7-16)15-11(2)18/h8,10,12H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyKYESQVZHCLRQAB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds4

About N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide

N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 91841424) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide
PubChem CID91841424
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCCn1cncc1CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H22N4O/c1-3-17-10-14-8-13(17)9-16-6-4-12(5-7-16)15-11(2)18/h8,10,12H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyKYESQVZHCLRQAB-UHFFFAOYSA-N
XLogP1.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
N-cyclopentyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118745401
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
N,N-diisopropyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide
CID 56889516
N-[1-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-2-methylpropyl]acetamide
CID 56905957
7-(2-Pyrrolidin-1-ylpropanoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56915004
N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911616
4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-N'-propylurea
CID 91923975
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97384477

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide (CID 91841424) is N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide is CCn1cncc1CN1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is KYESQVZHCLRQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-10-14-8-13(17)9-16-6-4-12(5-7-16)15-11(2)18/h8,10,12H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide?
N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).