3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C22H31ClN4O2 — CID 42289513

IUPAC3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCc3cnc[nH]3)cc2Cl)CC1
InChIInChI=1S/C22H31ClN4O2/c1-22(2,3)14-27-10-7-18(8-11-27)29-20-5-4-16(12-19(20)23)21(28)25-9-6-17-13-24-15-26-17/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyUTXNKTUMKTVPLH-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.92
Rot. Bonds7

About 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 42289513) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID42289513
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC Name3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCc3cnc[nH]3)cc2Cl)CC1
InChIInChI=1S/C22H31ClN4O2/c1-22(2,3)14-27-10-7-18(8-11-27)29-20-5-4-16(12-19(20)23)21(28)25-9-6-17-13-24-15-26-17/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyUTXNKTUMKTVPLH-UHFFFAOYSA-N
XLogP3.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 42241019
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CID 97454031
3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 72914427
3-chloro-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxybenzamide
CID 42241824
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide
CID 25372511
tert-butyl N-[3-[[3-chloro-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]oxybenzoyl]amino]propyl]carbamate
CID 67390289
3-chloro-N-(2-methoxyethyl)-4-[1-(oxan-4-yl)piperidin-4-yl]oxybenzamide
CID 42512436
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3-methylbut-2-enoyl)piperidin-4-yl]oxybenzamide
CID 42565360
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
3-chloro-4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42213601
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 42289513) is 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is CC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCc3cnc[nH]3)cc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is UTXNKTUMKTVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O2/c1-22(2,3)14-27-10-7-18(8-11-27)29-20-5-4-16(12-19(20)23)21(28)25-9-6-17-13-24-15-26-17/h4-5,12-13,15,18H,6-11,14H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 418.97 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 42289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).