[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C14H22N4O — CID 77092442

IUPAC[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCn1ccnc1C1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C14H22N4O/c1-17-10-7-16-13(17)11-4-8-18(9-5-11)14(19)12-3-2-6-15-12/h7,10-12,15H,2-6,8-9H2,1H3/t12-/m1/s1
InChIKeyLOJGUKATLGNDLY-GFCCVEGCSA-N
MW262.36 g/mol
LogP0.88
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 77092442) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID77092442
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCn1ccnc1C1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C14H22N4O/c1-17-10-7-16-13(17)11-4-8-18(9-5-11)14(19)12-3-2-6-15-12/h7,10-12,15H,2-6,8-9H2,1H3/t12-/m1/s1
InChIKeyLOJGUKATLGNDLY-GFCCVEGCSA-N
XLogP0.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-(pentan-3-ylamino)pentanamide
CID 54585771
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
(2S)-2-(3-methylbutylamino)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54582860
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 77092442) is [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is Cn1ccnc1C1CCN(C(=O)[C@H]2CCCN2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is LOJGUKATLGNDLY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-10-7-16-13(17)11-4-8-18(9-5-11)14(19)12-3-2-6-15-12/h7,10-12,15H,2-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 77092442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).