1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide

C19H24ClN3O4 — CID 75404574

IUPAC1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1
InChIInChI=1S/C19H24ClN3O4/c20-14-10-16-17(27-9-1-8-26-16)11-15(14)22-19(25)23-6-4-12(5-7-23)18(24)21-13-2-3-13/h10-13H,1-9H2,(H,21,24)(H,22,25)
InChIKeyADEAHVMIPFMMEO-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.02
Rot. Bonds3

About 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide

1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide (PubChem CID 75404574) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide
PubChem CID75404574
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1
InChIInChI=1S/C19H24ClN3O4/c20-14-10-16-17(27-9-1-8-26-16)11-15(14)22-19(25)23-6-4-12(5-7-23)18(24)21-13-2-3-13/h10-13H,1-9H2,(H,21,24)(H,22,25)
InChIKeyADEAHVMIPFMMEO-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
CID 47201238
3-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42925498
4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075076
4-N-cyclopropyl-1-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperidine-1,4-dicarboxamide
CID 94578869
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39820921
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55465968
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18267750
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739344
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylbut-2-enamide
CID 30797868
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 41163844
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55916384

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide (CID 75404574) is 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide is O=C(NC1CC1)C1CCN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1.
What is the InChIKey of 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide?
The InChIKey is ADEAHVMIPFMMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-14-10-16-17(27-9-1-8-26-16)11-15(14)22-19(25)23-6-4-12(5-7-23)18(24)21-13-2-3-13/h10-13H,1-9H2,(H,21,24)(H,22,25).
What are the key properties of 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide?
1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 75404574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).