[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C14H23N3O2 — CID 77091772

IUPAC[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCCCC1(CO)CCN(C(=O)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-14(10-18)5-7-17(8-6-14)13(19)12-15-9-11(2)16-12/h9,18H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyIXAQMWBPSRNFLS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds4

About [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 77091772) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID77091772
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCCCC1(CO)CCN(C(=O)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-14(10-18)5-7-17(8-6-14)13(19)12-15-9-11(2)16-12/h9,18H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyIXAQMWBPSRNFLS-UHFFFAOYSA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Hydroxypropyl)-9-[(4-methyl-1H-imidazol-2-YL)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707317
(3R*,4R*)-4-cyclobutyl-3-methyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]piperidin-4-ol
CID 70739349
[4-({methyl[(4-methyl-1H-imidazol-2-yl)methyl]amino}methyl)tetrahydro-2H-pyran-4-yl]methanol
CID 74233960
(8-syn)-8-methoxy-3-[(4-methyl-1H-imidazol-2-yl)carbonyl]-3-azabicyclo[3.2.1]octane
CID 77084948
N-[(1-ethylpiperidin-4-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 77086075
N-{[trans-4-(hydroxymethyl)cyclohexyl]methyl}-4-methyl-1H-imidazole-2-carboxamide
CID 124206269
N-[(2S)-2-ethyl-2,5-dihydroxypentyl]-5-methyl-1H-imidazole-2-carboxamide
CID 125525258
N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
CID 164636900
N-(5-hydroxypentan-2-yl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
CID 112143730
2-(5-ethyl-1H-imidazol-2-yl)-1-[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 136566061
7-(cyclopropylmethyl)-2-[(4-methyl-1H-imidazol-2-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 45228350
1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 141388640

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 77091772) is [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is CCCC1(CO)CCN(C(=O)c2ncc(C)[nH]2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is IXAQMWBPSRNFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-14(10-18)5-7-17(8-6-14)13(19)12-15-9-11(2)16-12/h9,18H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 77091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).