[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

C13H22N4O2 — CID 56914584

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C13H22N4O2/c1-10-11(15-9-14-10)12(18)17-6-4-5-13(19,8-17)7-16(2)3/h9,19H,4-8H2,1-3H3,(H,14,15)
InChIKeyKVENEKDWUUYPCH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.25
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (PubChem CID 56914584) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
PubChem CID56914584
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C13H22N4O2/c1-10-11(15-9-14-10)12(18)17-6-4-5-13(19,8-17)7-16(2)3/h9,19H,4-8H2,1-3H3,(H,14,15)
InChIKeyKVENEKDWUUYPCH-UHFFFAOYSA-N
XLogP0.25
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 72892757
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
CID 86286647
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 95719356
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
1-(5-methyl-1H-imidazole-4-carbonyl)piperidine-4-carboxamide
CID 110683912

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (CID 56914584) is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is Cc1[nH]cnc1C(=O)N1CCCC(O)(CN(C)C)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The InChIKey is KVENEKDWUUYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-11(15-9-14-10)12(18)17-6-4-5-13(19,8-17)7-16(2)3/h9,19H,4-8H2,1-3H3,(H,14,15).
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 56914584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).