4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide

C22H28N4O3 — CID 72886728

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c27-21(25-11-1-2-20-23-12-13-24-20)16-5-7-18(8-6-16)29-19-9-14-26(15-10-19)22(28)17-3-4-17/h5-8,12-13,17,19H,1-4,9-11,14-15H2,(H,23,24)(H,25,27)
InChIKeyVPOBSNGMCQDDKO-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.55
Rot. Bonds8

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide (PubChem CID 72886728) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
PubChem CID72886728
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c27-21(25-11-1-2-20-23-12-13-24-20)16-5-7-18(8-6-16)29-19-9-14-26(15-10-19)22(28)17-3-4-17/h5-8,12-13,17,19H,1-4,9-11,14-15H2,(H,23,24)(H,25,27)
InChIKeyVPOBSNGMCQDDKO-UHFFFAOYSA-N
XLogP2.55
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 72903010
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide (CID 72886728) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide is O=C(NCCCc1ncc[nH]1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The InChIKey is VPOBSNGMCQDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(25-11-1-2-20-23-12-13-24-20)16-5-7-18(8-6-16)29-19-9-14-26(15-10-19)22(28)17-3-4-17/h5-8,12-13,17,19H,1-4,9-11,14-15H2,(H,23,24)(H,25,27).
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 72886728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).