4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C18H26N2O3 — CID 95097994

IUPAC4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCC[C@H](COc2ccc(C(=O)NC(C)C)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)19-18(22)16-6-8-17(9-7-16)23-12-15-5-4-10-20(11-15)14(3)21/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyAMJYXFCEYLPZIL-HNNXBMFYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 95097994) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID95097994
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCC[C@H](COc2ccc(C(=O)NC(C)C)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)19-18(22)16-6-8-17(9-7-16)23-12-15-5-4-10-20(11-15)14(3)21/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyAMJYXFCEYLPZIL-HNNXBMFYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 95097994) is 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CC(=O)N1CCC[C@H](COc2ccc(C(=O)NC(C)C)cc2)C1.
What is the InChIKey of 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is AMJYXFCEYLPZIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)19-18(22)16-6-8-17(9-7-16)23-12-15-5-4-10-20(11-15)14(3)21/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95097994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).