1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

C18H30N4O — CID 119897765

IUPAC1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H30N4O/c1-14(16-5-3-7-19-12-16)11-18(23)22-9-4-6-17(22)13-21-10-8-20-15(21)2/h8,10,14,16-17,19H,3-7,9,11-13H2,1-2H3
InChIKeyCXKYGYZPSWPXPL-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119897765) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119897765
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H30N4O/c1-14(16-5-3-7-19-12-16)11-18(23)22-9-4-6-17(22)13-21-10-8-20-15(21)2/h8,10,14,16-17,19H,3-7,9,11-13H2,1-2H3
InChIKeyCXKYGYZPSWPXPL-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119954161
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119897750
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119874206
3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 81047905

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 119897765) is 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is Cc1nccn1CC1CCCN1C(=O)CC(C)C1CCCNC1.
What is the InChIKey of 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is CXKYGYZPSWPXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(16-5-3-7-19-12-16)11-18(23)22-9-4-6-17(22)13-21-10-8-20-15(21)2/h8,10,14,16-17,19H,3-7,9,11-13H2,1-2H3.
What are the key properties of 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).