(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H22N4O — CID 103511553

IUPAC(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCn1cncc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H22N4O/c1-17-10-15-9-13(17)14(19)18-8-3-2-6-12(18)11-5-4-7-16-11/h9-12,16H,2-8H2,1H3
InChIKeyKIAGLIOODISZPH-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.17
Rot. Bonds2

About (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 103511553) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID103511553
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCn1cncc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H22N4O/c1-17-10-15-9-13(17)14(19)18-8-3-2-6-12(18)11-5-4-7-16-11/h9-12,16H,2-8H2,1H3
InChIKeyKIAGLIOODISZPH-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256413
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63256800
(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256233
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512063
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 129345073
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256583

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 103511553) is (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cn1cncc1C(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is KIAGLIOODISZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-10-15-9-13(17)14(19)18-8-3-2-6-12(18)11-5-4-7-16-11/h9-12,16H,2-8H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103511553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).