3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

C23H32N2O3 — CID 50846681

IUPAC3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C23H32N2O3/c26-22(24-20-11-12-20)19-9-4-10-21(14-19)28-16-17-6-5-13-25(15-17)23(27)18-7-2-1-3-8-18/h4,9-10,14,17-18,20H,1-3,5-8,11-13,15-16H2,(H,24,26)
InChIKeyMXAKVFYOABUKQN-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.78
Rot. Bonds6

About 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide

3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 50846681) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID50846681
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C23H32N2O3/c26-22(24-20-11-12-20)19-9-4-10-21(14-19)28-16-17-6-5-13-25(15-17)23(27)18-7-2-1-3-8-18/h4,9-10,14,17-18,20H,1-3,5-8,11-13,15-16H2,(H,24,26)
InChIKeyMXAKVFYOABUKQN-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 50846747
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
[(2S)-oxolan-2-yl]-[(3R)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900912
[(2S)-oxolan-2-yl]-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900914

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide (CID 50846681) is 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)C3CCCCC3)C2)c1.
What is the InChIKey of 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is MXAKVFYOABUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c26-22(24-20-11-12-20)19-9-4-10-21(14-19)28-16-17-6-5-13-25(15-17)23(27)18-7-2-1-3-8-18/h4,9-10,14,17-18,20H,1-3,5-8,11-13,15-16H2,(H,24,26).
What are the key properties of 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide?
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 384.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 50846681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).