4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C24H25ClN2O5 — CID 25482263

IUPAC4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H25ClN2O5/c1-15(26-23(29)17-2-5-19(25)6-3-17)24(30)27-10-8-16(9-11-27)22(28)18-4-7-20-21(14-18)32-13-12-31-20/h2-7,14-16H,8-13H2,1H3,(H,26,29)/t15-/m0/s1
InChIKeyKDBIATBQGASBMZ-HNNXBMFYSA-N
MW456.93 g/mol
LogP3.35
Rot. Bonds5

About 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 25482263) has the molecular formula C24H25ClN2O5 and a molecular weight of 456.93 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID25482263
Molecular FormulaC24H25ClN2O5
Molecular Weight456.93 g/mol
Exact Mass456.15
IUPAC Name4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H25ClN2O5/c1-15(26-23(29)17-2-5-19(25)6-3-17)24(30)27-10-8-16(9-11-27)22(28)18-4-7-20-21(14-18)32-13-12-31-20/h2-7,14-16H,8-13H2,1H3,(H,26,29)/t15-/m0/s1
InChIKeyKDBIATBQGASBMZ-HNNXBMFYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-methylbutan-1-one
CID 51332148
4-chloro-N-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 25482268
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 75466640
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
1-[(2R)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxohexan-2-yl]-3-ethylurea
CID 97098224
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
(E)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 41310868
(E)-3-(2,4-dichlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 41310449
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 55989119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 25482263) is 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is KDBIATBQGASBMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25ClN2O5/c1-15(26-23(29)17-2-5-19(25)6-3-17)24(30)27-10-8-16(9-11-27)22(28)18-4-7-20-21(14-18)32-13-12-31-20/h2-7,14-16H,8-13H2,1H3,(H,26,29)/t15-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 456.93 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 25482263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).