[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone

C14H22N4O2 — CID 119897783

IUPAC[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCc1nccn1CC1CCCN1C(=O)C1CNCCO1
InChIInChI=1S/C14H22N4O2/c1-11-16-4-7-17(11)10-12-3-2-6-18(12)14(19)13-9-15-5-8-20-13/h4,7,12-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyPPBAXWXTDHGTAF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.17
Rot. Bonds3

About [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone

[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119897783) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
PubChem CID119897783
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCc1nccn1CC1CCCN1C(=O)C1CNCCO1
InChIInChI=1S/C14H22N4O2/c1-11-16-4-7-17(11)10-12-3-2-6-18(12)14(19)13-9-15-5-8-20-13/h4,7,12-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyPPBAXWXTDHGTAF-UHFFFAOYSA-N
XLogP0.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 107217729
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638392
morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119860023
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124699248
2-[(2S)-1-[(2R)-morpholine-2-carbonyl]piperidin-2-yl]acetamide
CID 124699206
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119897750
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 97123595
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone (CID 119897783) is [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone is Cc1nccn1CC1CCCN1C(=O)C1CNCCO1.
What is the InChIKey of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is PPBAXWXTDHGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-16-4-7-17(11)10-12-3-2-6-18(12)14(19)13-9-15-5-8-20-13/h4,7,12-13,15H,2-3,5-6,8-10H2,1H3.
What are the key properties of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone?
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119897783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).