N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide

C18H30N4O2 — CID 131959799

IUPACN-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide
SMILESCc1nccn1CCCCN1CCC(C(O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14-19-8-13-22(14)10-3-2-9-21-11-6-15(7-12-21)17(23)18(24)20-16-4-5-16/h8,13,15-17,23H,2-7,9-12H2,1H3,(H,20,24)
InChIKeyVXZVHFXVWAWACB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.32
Rot. Bonds8

About N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide

N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide (PubChem CID 131959799) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide
PubChem CID131959799
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide
SMILESCc1nccn1CCCCN1CCC(C(O)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14-19-8-13-22(14)10-3-2-9-21-11-6-15(7-12-21)17(23)18(24)20-16-4-5-16/h8,13,15-17,23H,2-7,9-12H2,1H3,(H,20,24)
InChIKeyVXZVHFXVWAWACB-UHFFFAOYSA-N
XLogP1.32
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopropyl-2-hydroxy-2-[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]acetamide
CID 129490207
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 129489862
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide (CID 131959799) is N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide is Cc1nccn1CCCCN1CCC(C(O)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide?
The InChIKey is VXZVHFXVWAWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-19-8-13-22(14)10-3-2-9-21-11-6-15(7-12-21)17(23)18(24)20-16-4-5-16/h8,13,15-17,23H,2-7,9-12H2,1H3,(H,20,24).
What are the key properties of N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide?
N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-2-[1-[4-(2-methylimidazol-1-yl)butyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 131959799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).