(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C17H24N4O2 — CID 121496323

IUPAC(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)ccn1C
InChIInChI=1S/C17H24N4O2/c1-12-14(6-8-19(12)2)17(23)21-9-4-13(5-10-21)15(22)16-18-7-11-20(16)3/h6-8,11,13,15,22H,4-5,9-10H2,1-3H3
InChIKeyMMEMQGDBOUDMAW-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.65
Rot. Bonds3

About (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 121496323) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID121496323
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)ccn1C
InChIInChI=1S/C17H24N4O2/c1-12-14(6-8-19(12)2)17(23)21-9-4-13(5-10-21)15(22)16-18-7-11-20(16)3/h6-8,11,13,15,22H,4-5,9-10H2,1-3H3
InChIKeyMMEMQGDBOUDMAW-UHFFFAOYSA-N
XLogP1.65
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 99606745
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 139013123
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
CID 126428369
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 118793416
7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 126453720
6-chloro-3-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]chromen-2-one
CID 171389637
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134697141

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 121496323) is (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)ccn1C.
What is the InChIKey of (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is MMEMQGDBOUDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-14(6-8-19(12)2)17(23)21-9-4-13(5-10-21)15(22)16-18-7-11-20(16)3/h6-8,11,13,15,22H,4-5,9-10H2,1-3H3.
What are the key properties of (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 121496323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).